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

C28H23Cl2N3O2 — CID 46237257

IUPAC4-(4-chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
SMILESCOC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccc(Cl)cc1)cc(=O)n2C)c1cncn1C
InChIInChI=1S/C28H23Cl2N3O2/c1-32-17-31-16-26(32)28(35-3,19-6-11-22(30)12-7-19)20-8-13-25-24(14-20)23(15-27(34)33(25)2)18-4-9-21(29)10-5-18/h4-17H,1-3H3
InChIKeyCVFXBFRIDRAJBH-UHFFFAOYSA-N
MW504.42 g/mol
LogP6.18
Rot. Bonds5

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

4-(4-chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one (PubChem CID 46237257) has the molecular formula C28H23Cl2N3O2 and a molecular weight of 504.42 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
PubChem CID46237257
Molecular FormulaC28H23Cl2N3O2
Molecular Weight504.42 g/mol
Exact Mass503.12
IUPAC Name4-(4-chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
SMILESCOC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccc(Cl)cc1)cc(=O)n2C)c1cncn1C
InChIInChI=1S/C28H23Cl2N3O2/c1-32-17-31-16-26(32)28(35-3,19-6-11-22(30)12-7-19)20-8-13-25-24(14-20)23(15-27(34)33(25)2)18-4-9-21(29)10-5-18/h4-17H,1-3H3
InChIKeyCVFXBFRIDRAJBH-UHFFFAOYSA-N
XLogP6.18
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.42
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one (CID 46237257) is 4-(4-chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one is COC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccc(Cl)cc1)cc(=O)n2C)c1cncn1C.
What is the InChIKey of 4-(4-chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one?
The InChIKey is CVFXBFRIDRAJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl2N3O2/c1-32-17-31-16-26(32)28(35-3,19-6-11-22(30)12-7-19)20-8-13-25-24(14-20)23(15-27(34)33(25)2)18-4-9-21(29)10-5-18/h4-17H,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one?
4-(4-chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one has a molecular weight of 504.42 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 46237257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).