4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one

C17H14ClNO3 — CID 135058824

IUPAC4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one
SMILESCOc1ccc2c(c1)c(-c1ccc(Cl)cc1)cc(=O)n2OC
InChIInChI=1S/C17H14ClNO3/c1-21-13-7-8-16-15(9-13)14(10-17(20)19(16)22-2)11-3-5-12(18)6-4-11/h3-10H,1-2H3
InChIKeyGAXNSZIGZXYKMK-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.39
Rot. Bonds3

About 4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one

4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one (PubChem CID 135058824) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one
PubChem CID135058824
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one
SMILESCOc1ccc2c(c1)c(-c1ccc(Cl)cc1)cc(=O)n2OC
InChIInChI=1S/C17H14ClNO3/c1-21-13-7-8-16-15(9-13)14(10-17(20)19(16)22-2)11-3-5-12(18)6-4-11/h3-10H,1-2H3
InChIKeyGAXNSZIGZXYKMK-UHFFFAOYSA-N
XLogP3.39
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxyphenanthridin-6-one
CID 134964837
4-(4-chlorophenyl)-6-methoxy-2-(4-methoxyphenyl)quinoline
CID 11100859
6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one
CID 101359142
2-(4-chlorophenyl)-4-methoxyphenol
CID 57199343
4-chloro-6-methoxy-1-methylquinolin-2-one
CID 11673021
4-(4-methoxyphenyl)-1-phenylquinolin-2-one
CID 166443023
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene
CID 141399604
2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one
CID 71330911
2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one
CID 23818641
4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline
CID 135018951
1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene
CID 59664827

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one (CID 135058824) is 4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one is COc1ccc2c(c1)c(-c1ccc(Cl)cc1)cc(=O)n2OC.
What is the InChIKey of 4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one?
The InChIKey is GAXNSZIGZXYKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-21-13-7-8-16-15(9-13)14(10-17(20)19(16)22-2)11-3-5-12(18)6-4-11/h3-10H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one?
4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one has a molecular weight of 315.76 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one is sourced from PubChem (CID 135058824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).