6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one

C31H31Cl2N5O — CID 163709898

IUPAC6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one
SMILESCCCN(C)Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc([C@](N)(c3ccc(Cl)cc3)c3cncn3C)ccc21
InChIInChI=1S/C31H31Cl2N5O/c1-4-14-36(2)20-38-28-13-10-23(16-27(28)26(17-30(38)39)21-6-5-7-25(33)15-21)31(34,29-18-35-19-37(29)3)22-8-11-24(32)12-9-22/h5-13,15-19H,4,14,20,34H2,1-3H3/t31-/m1/s1
InChIKeyKIHBBTJGOVKOOH-WJOKGBTCSA-N
MW560.53 g/mol
LogP6.26
Rot. Bonds8

About 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one

6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one (PubChem CID 163709898) has the molecular formula C31H31Cl2N5O and a molecular weight of 560.53 g/mol. Its IUPAC name is 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one.

Molecular Properties

Compound Name6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one
PubChem CID163709898
Molecular FormulaC31H31Cl2N5O
Molecular Weight560.53 g/mol
Exact Mass559.19
IUPAC Name6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one
SMILESCCCN(C)Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc([C@](N)(c3ccc(Cl)cc3)c3cncn3C)ccc21
InChIInChI=1S/C31H31Cl2N5O/c1-4-14-36(2)20-38-28-13-10-23(16-27(28)26(17-30(38)39)21-6-5-7-25(33)15-21)31(34,29-18-35-19-37(29)3)22-8-11-24(32)12-9-22/h5-13,15-19H,4,14,20,34H2,1-3H3/t31-/m1/s1
InChIKeyKIHBBTJGOVKOOH-WJOKGBTCSA-N
XLogP6.26
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.53
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;hydrochloride
CID 168994781
6-[amino-(3-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;dimethylphosphorylmethane
CID 91416842
6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[3-[(E)-methoxyiminomethyl]phenyl]-1-methylquinolin-2-one
CID 20748851
(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine
CID 23388978
6-[amino-(6-chloro-1,2-dihydropyridin-3-yl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one
CID 142076423
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one
CID 44590271
6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one
CID 158119352
6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 59157844
6-[(S)-amino-[4-chloro-2-(3-diethoxyphosphorylpropyl)phenyl]-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 89228100
4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 59334673
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine
CID 143128783
4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 22465424

Frequently Asked Questions

What is the IUPAC name of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one?
The IUPAC name of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one (CID 163709898) is 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one.
What is the SMILES notation for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one?
The canonical SMILES for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one is CCCN(C)Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc([C@](N)(c3ccc(Cl)cc3)c3cncn3C)ccc21.
What is the InChIKey of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one?
The InChIKey is KIHBBTJGOVKOOH-WJOKGBTCSA-N. The full InChI is InChI=1S/C31H31Cl2N5O/c1-4-14-36(2)20-38-28-13-10-23(16-27(28)26(17-30(38)39)21-6-5-7-25(33)15-21)31(34,29-18-35-19-37(29)3)22-8-11-24(32)12-9-22/h5-13,15-19H,4,14,20,34H2,1-3H3/t31-/m1/s1.
What are the key properties of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one?
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one has a molecular weight of 560.53 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one is sourced from PubChem (CID 163709898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).