1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one

C18H16ClNO — CID 71397209

IUPAC1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one
SMILESCc1ccc2c(C)cc(=O)n(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C18H16ClNO/c1-12-3-8-16-13(2)10-18(21)20(17(16)9-12)11-14-4-6-15(19)7-5-14/h3-10H,11H2,1-2H3
InChIKeyWODSOGILKRJOGS-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.32
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one

1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one (PubChem CID 71397209) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one
PubChem CID71397209
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one
SMILESCc1ccc2c(C)cc(=O)n(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C18H16ClNO/c1-12-3-8-16-13(2)10-18(21)20(17(16)9-12)11-14-4-6-15(19)7-5-14/h3-10H,11H2,1-2H3
InChIKeyWODSOGILKRJOGS-UHFFFAOYSA-N
XLogP4.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propyl 2-[1-[(4-chlorophenyl)methyl]-6-methyl-2-oxoquinolin-4-yl]propanoate
CID 12802826
4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one
CID 39767911
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411
1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one
CID 39768066
2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]acetic acid
CID 165351742
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one
CID 39767907
4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2,4-triazole
CID 58259865
1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one
CID 39768018
3-[4-[(7-ethyl-4-methyl-2-oxoquinolin-1-yl)methyl]phenyl]-2-phenylprop-2-enenitrile
CID 54283546
1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone
CID 82269669
4-[(4,6,8-trimethyl-2-oxoquinolin-1-yl)methyl]benzonitrile
CID 39768352

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one (CID 71397209) is 1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one is Cc1ccc2c(C)cc(=O)n(Cc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one?
The InChIKey is WODSOGILKRJOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-12-3-8-16-13(2)10-18(21)20(17(16)9-12)11-14-4-6-15(19)7-5-14/h3-10H,11H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one?
1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one has a molecular weight of 297.79 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one is sourced from PubChem (CID 71397209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).