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

C29H25Cl2N3O2 — CID 25258603

IUPAC4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
SMILESCOC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C)c1cncn1C
InChIInChI=1S/C29H25Cl2N3O2/c1-18-22(6-5-7-25(18)31)23-15-28(35)34(3)26-13-10-20(14-24(23)26)29(36-4,27-16-32-17-33(27)2)19-8-11-21(30)12-9-19/h5-17H,1-4H3
InChIKeyURJAQUYCRCFSSV-UHFFFAOYSA-N
MW518.44 g/mol
LogP6.49
Rot. Bonds5

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

4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one (PubChem CID 25258603) has the molecular formula C29H25Cl2N3O2 and a molecular weight of 518.44 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
PubChem CID25258603
Molecular FormulaC29H25Cl2N3O2
Molecular Weight518.44 g/mol
Exact Mass517.13
IUPAC Name4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
SMILESCOC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C)c1cncn1C
InChIInChI=1S/C29H25Cl2N3O2/c1-18-22(6-5-7-25(18)31)23-15-28(35)34(3)26-13-10-20(14-24(23)26)29(36-4,27-16-32-17-33(27)2)19-8-11-21(30)12-9-19/h5-17H,1-4H3
InChIKeyURJAQUYCRCFSSV-UHFFFAOYSA-N
XLogP6.49
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.44
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one?
The IUPAC name of 4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one (CID 25258603) is 4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one is COC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C)c1cncn1C.
What is the InChIKey of 4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one?
The InChIKey is URJAQUYCRCFSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25Cl2N3O2/c1-18-22(6-5-7-25(18)31)23-15-28(35)34(3)26-13-10-20(14-24(23)26)29(36-4,27-16-32-17-33(27)2)19-8-11-21(30)12-9-19/h5-17H,1-4H3.
What are the key properties of 4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one?
4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one has a molecular weight of 518.44 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 25258603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).