6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one

C29H26ClN3O2 — CID 91231904

IUPAC6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one
SMILESCCOc1ccc(-c2cc(=O)n(C)c3ccc(C(c4ccc(Cl)cc4)c4cncn4C)cc23)cc1
InChIInChI=1S/C29H26ClN3O2/c1-4-35-23-12-7-19(8-13-23)24-16-28(34)33(3)26-14-9-21(15-25(24)26)29(27-17-31-18-32(27)2)20-5-10-22(30)11-6-20/h5-18,29H,4H2,1-3H3
InChIKeyLMCZYRMHFZMBSU-UHFFFAOYSA-N
MW484.00 g/mol
LogP6.17
Rot. Bonds6

About 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one

6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one (PubChem CID 91231904) has the molecular formula C29H26ClN3O2 and a molecular weight of 484.00 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one
PubChem CID91231904
Molecular FormulaC29H26ClN3O2
Molecular Weight484.00 g/mol
Exact Mass483.17
IUPAC Name6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one
SMILESCCOc1ccc(-c2cc(=O)n(C)c3ccc(C(c4ccc(Cl)cc4)c4cncn4C)cc23)cc1
InChIInChI=1S/C29H26ClN3O2/c1-4-35-23-12-7-19(8-13-23)24-16-28(34)33(3)26-14-9-21(15-25(24)26)29(27-17-31-18-32(27)2)20-5-10-22(30)11-6-20/h5-18,29H,4H2,1-3H3
InChIKeyLMCZYRMHFZMBSU-UHFFFAOYSA-N
XLogP6.17
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one with MolForge

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Related Compounds

bis(methyl 3-[(4-chlorophenyl)-(1-methyl-2-oxo-4-phenylquinolin-6-yl)methyl]imidazole-4-carboxylate);oxalic acid
CID 173228038
6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one
CID 46237255
(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol
CID 66118611
4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 11592576
6-[(4-chloro-N-cyclopropylanilino)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one
CID 54078383
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
CID 11604992
6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one
CID 101359142
[(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264597
6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one;2,2,2-trifluoroacetic acid
CID 46237254
N-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]-2-methoxyacetamide
CID 91435879
[(4-chlorophenyl)-[4-[3-[(E)-methoxyiminomethyl]phenyl]-1-methyl-2-oxoquinolin-6-yl]-(3-methylimidazol-4-yl)methyl]azanium
CID 142082504
4-bromo-6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-1-methylquinolin-2-one
CID 118324008

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one (CID 91231904) is 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one is CCOc1ccc(-c2cc(=O)n(C)c3ccc(C(c4ccc(Cl)cc4)c4cncn4C)cc23)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one?
The InChIKey is LMCZYRMHFZMBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN3O2/c1-4-35-23-12-7-19(8-13-23)24-16-28(34)33(3)26-14-9-21(15-25(24)26)29(27-17-31-18-32(27)2)20-5-10-22(30)11-6-20/h5-18,29H,4H2,1-3H3.
What are the key properties of 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one?
6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one has a molecular weight of 484.00 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(4-ethoxyphenyl)-1-methylquinolin-2-one is sourced from PubChem (CID 91231904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).