6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one

C23H16Cl3NO2 — CID 142438165

IUPAC6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
SMILESCOc1c(-c2ccccc2)c2cc(Cl)ccc2n(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C23H16Cl3NO2/c1-29-22-21(15-5-3-2-4-6-15)17-12-16(24)8-10-20(17)27(23(22)28)13-14-7-9-18(25)19(26)11-14/h2-12H,13H2,1H3
InChIKeyFEBFAWQEGCEASB-UHFFFAOYSA-N
MW444.75 g/mol
LogP6.69
Rot. Bonds4

About 6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one

6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one (PubChem CID 142438165) has the molecular formula C23H16Cl3NO2 and a molecular weight of 444.75 g/mol. Its IUPAC name is 6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one.

Molecular Properties

Compound Name6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
PubChem CID142438165
Molecular FormulaC23H16Cl3NO2
Molecular Weight444.75 g/mol
Exact Mass443.02
IUPAC Name6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
SMILESCOc1c(-c2ccccc2)c2cc(Cl)ccc2n(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C23H16Cl3NO2/c1-29-22-21(15-5-3-2-4-6-15)17-12-16(24)8-10-20(17)27(23(22)28)13-14-7-9-18(25)19(26)11-14/h2-12H,13H2,1H3
InChIKeyFEBFAWQEGCEASB-UHFFFAOYSA-N
XLogP6.69
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.75
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
CID 142438199
1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438213
1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one
CID 142438240
4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one
CID 142438166
3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one
CID 142438224
1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one
CID 142438230
1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one
CID 142438232
5-benzyl-2-chloro-9-fluorophenanthridin-6-one
CID 134974780
3-[(3,4-dichlorophenyl)methyl]-1-propan-2-ylquinazoline-2,4-dione
CID 57069441
1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438185
methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate
CID 139937850
5-benzyl-8-chlorophenanthridin-6-one
CID 71506154

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one?
The IUPAC name of 6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one (CID 142438165) is 6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one.
What is the SMILES notation for 6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one?
The canonical SMILES for 6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one is COc1c(-c2ccccc2)c2cc(Cl)ccc2n(Cc2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one?
The InChIKey is FEBFAWQEGCEASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3NO2/c1-29-22-21(15-5-3-2-4-6-15)17-12-16(24)8-10-20(17)27(23(22)28)13-14-7-9-18(25)19(26)11-14/h2-12H,13H2,1H3.
What are the key properties of 6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one?
6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one has a molecular weight of 444.75 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one is sourced from PubChem (CID 142438165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).