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

C28H22ClF2N3O2 — CID 46237408

IUPAC6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2-one
SMILESCOC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1c(F)cccc1F)cc(=O)n2C)c1cncn1C
InChIInChI=1S/C28H22ClF2N3O2/c1-33-16-32-15-25(33)28(36-3,17-7-10-19(29)11-8-17)18-9-12-24-20(13-18)21(14-26(35)34(24)2)27-22(30)5-4-6-23(27)31/h4-16H,1-3H3
InChIKeyKVNUNQVIQXLHFU-UHFFFAOYSA-N
MW505.95 g/mol
LogP5.81
Rot. Bonds5

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

6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2-one (PubChem CID 46237408) has the molecular formula C28H22ClF2N3O2 and a molecular weight of 505.95 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2-one
PubChem CID46237408
Molecular FormulaC28H22ClF2N3O2
Molecular Weight505.95 g/mol
Exact Mass505.14
IUPAC Name6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2-one
SMILESCOC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1c(F)cccc1F)cc(=O)n2C)c1cncn1C
InChIInChI=1S/C28H22ClF2N3O2/c1-33-16-32-15-25(33)28(36-3,17-7-10-19(29)11-8-17)18-9-12-24-20(13-18)21(14-26(35)34(24)2)27-22(30)5-4-6-23(27)31/h4-16H,1-3H3
InChIKeyKVNUNQVIQXLHFU-UHFFFAOYSA-N
XLogP5.81
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.95
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cp-609754
CID 46208720
4-[(5-{[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl](hydroxy)methyl}-1H-imidazol-1-yl)methyl]benzonitrile
CID 9826475
4-{[5-({[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]methoxy}methyl)-1H-imidazol-1-yl]methyl}benzonitrile
CID 23646767
9-(3-Chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 11038422
4-({[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]methoxy}(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile
CID 23646768
4-(3-Chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 25258603
4-(3-Chloro-2-methylphenyl)-6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-1-methylquinolin-2(1H)-one
CID 44590272
6-[(4-Chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one
CID 46237002
6-[(4-Chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-[2-(trifluoromethyl)phenyl]quinolin-2-one
CID 46237004
6-[(4-Chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2-fluorophenyl)-1-methylquinolin-2-one
CID 46237127
4-(phenyl)-6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-1-methylquinolin-2(1H)-one
CID 46237255
4-(4-chlorophenyl)-6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-1-methylquinolin-2(1H)-one
CID 46237257

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2-one (CID 46237408) is 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2-one is COC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1c(F)cccc1F)cc(=O)n2C)c1cncn1C.
What is the InChIKey of 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2-one?
The InChIKey is KVNUNQVIQXLHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClF2N3O2/c1-33-16-32-15-25(33)28(36-3,17-7-10-19(29)11-8-17)18-9-12-24-20(13-18)21(14-26(35)34(24)2)27-22(30)5-4-6-23(27)31/h4-16H,1-3H3.
What are the key properties of 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2-one?
6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2-one has a molecular weight of 505.95 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2-one is sourced from PubChem (CID 46237408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).