Responsive image

Common name

N,N,1-trimethyl-5H-quinolin-6-amine

IUPAC name

N,N,1-trimethyl-5H-quinolin-6-amine

SMILES

N(C)(C)C1=CC=C2N(C=CC=C2C1)C

Common name

N,N,1-trimethyl-5H-quinolin-6-amine

IUPAC name

N,N,1-trimethyl-5H-quinolin-6-amine

SMILES

N(C)(C)C1=CC=C2N(C=CC=C2C1)C

INCHI

InChI=1S/C12H16N2/c1-13(2)11-6-7-12-10(9-11)5-4-8-14(12)3/h4-8H,9H2,1-3H3

FORMULA

C12H16N2

Responsive image

Common name

N,N,1-trimethyl-5H-quinolin-6-amine

IUPAC name

N,N,1-trimethyl-5H-quinolin-6-amine





Molecular weight

192.301

clogP

-1.560

clogS

-1.486

Frequency

0.0003





HBond Acceptor

1

HBond Donor

0

Total Polar
Surface Area

3.24

Number of Rings

2

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01501 Pyrvinium Responsive image Antinematodal Agents; Anthelmintics; Antiparasitic Products, Insecticides and Repellents;
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3bt9_ligand_4_119.mol2 3bt9 0.851852 -8.15 C(CN1C2=CC=CC[C@H]2[C@@H](C[C@H]1C)N)CC 16
3btj_ligand_4_119.mol2 3btj 0.851852 -8.06 C(CCC)N1C2=CC=CC[C@H]2[C@@H](C[C@H]1C)N 16
3bt9_ligand_3_44.mol2 3bt9 0.851852 -7.97 C(CN1C2=CC=CC[C@H]2[C@@H](C[C@H]1C)N)C 15
3btj_ligand_3_44.mol2 3btj 0.851852 -7.89 C(CC)N1C2=CC=CC[C@H]2[C@@H](C[C@H]1C)N 15
3bt9_ligand_2_9.mol2 3bt9 0.851852 -7.82 CCN1C2=CC=CC[C@H]2[C@@H](C[C@H]1C)N 14
3btj_ligand_2_9.mol2 3btj 0.851852 -7.72 C(C)N1C2=CC=CC[C@H]2[C@@H](C[C@H]1C)N 14
3bt9_ligand_1_0.mol2 3bt9 0.851852 -7.67 CN1C2=CC=CC[C@H]2[C@@H](C[C@H]1C)N 13
3btj_ligand_1_0.mol2 3btj 0.851852 -7.53 CN1C2=CC=CC[C@H]2[C@@H](C[C@H]1C)N 13
4ewn_ligand.mol2 4ewn 0.477273 -7.29 P(O)(O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)CNC1=C(C=CCC1)C(=O)O 24
3art_ligand_4_119.mol2 3art 0.446154 -6.13 C(CN1[C@H]2C=CC=CC2=C(C=C1C)N)CC 16
100 , 11