4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one

C23H17BrClNO2 — CID 142438166

IUPAC4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one
SMILESCOc1c(-c2ccc(Br)cc2)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C23H17BrClNO2/c1-28-22-21(16-8-10-17(24)11-9-16)19-4-2-3-5-20(19)26(23(22)27)14-15-6-12-18(25)13-7-15/h2-13H,14H2,1H3
InChIKeyUCVJWRMEXRRNFM-UHFFFAOYSA-N
MW454.75 g/mol
LogP6.14
Rot. Bonds4

About 4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one

4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one (PubChem CID 142438166) has the molecular formula C23H17BrClNO2 and a molecular weight of 454.75 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one
PubChem CID142438166
Molecular FormulaC23H17BrClNO2
Molecular Weight454.75 g/mol
Exact Mass453.01
IUPAC Name4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one
SMILESCOc1c(-c2ccc(Br)cc2)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C23H17BrClNO2/c1-28-22-21(16-8-10-17(24)11-9-16)19-4-2-3-5-20(19)26(23(22)27)14-15-6-12-18(25)13-7-15/h2-13H,14H2,1H3
InChIKeyUCVJWRMEXRRNFM-UHFFFAOYSA-N
XLogP6.14
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.75
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one
CID 142438230
1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438213
6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438165
1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438185
3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one
CID 142438224
1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
CID 142438199
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one
CID 142438240
1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one
CID 142438232
3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 101462188
4-[(2S)-2-(4-bromophenyl)but-3-enyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 166442551

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one?
The IUPAC name of 4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one (CID 142438166) is 4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one?
The canonical SMILES for 4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one is COc1c(-c2ccc(Br)cc2)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one?
The InChIKey is UCVJWRMEXRRNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrClNO2/c1-28-22-21(16-8-10-17(24)11-9-16)19-4-2-3-5-20(19)26(23(22)27)14-15-6-12-18(25)13-7-15/h2-13H,14H2,1H3.
What are the key properties of 4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one?
4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one has a molecular weight of 454.75 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one is sourced from PubChem (CID 142438166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).