[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine

C28H25ClN4O — CID 143128783

IUPAC[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine
SMILESCOc1cc(-c2cccc(Cl)c2)c2cc(C(N)(c3ccc(C)cc3)c3cncn3C)ccc2n1
InChIInChI=1S/C28H25ClN4O/c1-18-7-9-20(10-8-18)28(30,26-16-31-17-33(26)2)21-11-12-25-24(14-21)23(15-27(32-25)34-3)19-5-4-6-22(29)13-19/h4-17H,30H2,1-3H3
InChIKeyCOROHBYQBOXSNX-UHFFFAOYSA-N
MW468.99 g/mol
LogP5.86
Rot. Bonds5

About [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine

[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine (PubChem CID 143128783) has the molecular formula C28H25ClN4O and a molecular weight of 468.99 g/mol. Its IUPAC name is [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine
PubChem CID143128783
Molecular FormulaC28H25ClN4O
Molecular Weight468.99 g/mol
Exact Mass468.17
IUPAC Name[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine
SMILESCOc1cc(-c2cccc(Cl)c2)c2cc(C(N)(c3ccc(C)cc3)c3cncn3C)ccc2n1
InChIInChI=1S/C28H25ClN4O/c1-18-7-9-20(10-8-18)28(30,26-16-31-17-33(26)2)21-11-12-25-24(14-21)23(15-27(32-25)34-3)19-5-4-6-22(29)13-19/h4-17H,30H2,1-3H3
InChIKeyCOROHBYQBOXSNX-UHFFFAOYSA-N
XLogP5.86
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.99
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine 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

[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol
CID 22048468
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;hydrochloride
CID 168994781
(4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 46236886
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 22048492
6-[amino-(3-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;dimethylphosphorylmethane
CID 91416842
(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-7-yl]-(3-methylimidazol-4-yl)methanamine
CID 23388978
6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane
CID 143128762
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-[[methyl(propyl)amino]methyl]quinolin-2-one
CID 163709898
6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[3-[(E)-methoxyiminomethyl]phenyl]-1-methylquinolin-2-one
CID 20748851
(6-chloro-5-ethyl-3-pyridinyl)-[2-methoxy-4-[3-tri(propan-2-yl)silyloxyphenyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 174141469
4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one
CID 46236479
6-[amino-(6-chloro-1,2-dihydropyridin-3-yl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one
CID 142076423

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine?
The IUPAC name of [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine (CID 143128783) is [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine.
What is the SMILES notation for [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine?
The canonical SMILES for [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine is COc1cc(-c2cccc(Cl)c2)c2cc(C(N)(c3ccc(C)cc3)c3cncn3C)ccc2n1.
What is the InChIKey of [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine?
The InChIKey is COROHBYQBOXSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN4O/c1-18-7-9-20(10-8-18)28(30,26-16-31-17-33(26)2)21-11-12-25-24(14-21)23(15-27(32-25)34-3)19-5-4-6-22(29)13-19/h4-17H,30H2,1-3H3.
What are the key properties of [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine?
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine has a molecular weight of 468.99 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanamine is sourced from PubChem (CID 143128783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).