2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one

C16H12ClNO2 — CID 170408677

IUPAC2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one
SMILESCOc1cc(Cl)ccc1-c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C16H12ClNO2/c1-20-16-8-10(17)6-7-12(16)14-9-15(19)11-4-2-3-5-13(11)18-14/h2-9H,1H3,(H,18,19)
InChIKeyJUCOYRURRBNVGZ-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.86
Rot. Bonds2

About 2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one

2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one (PubChem CID 170408677) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one
PubChem CID170408677
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one
SMILESCOc1cc(Cl)ccc1-c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C16H12ClNO2/c1-20-16-8-10(17)6-7-12(16)14-9-15(19)11-4-2-3-5-13(11)18-14/h2-9H,1H3,(H,18,19)
InChIKeyJUCOYRURRBNVGZ-UHFFFAOYSA-N
XLogP3.86
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methoxy-6-methylphenyl)-1H-quinolin-4-one
CID 170366465
2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one
CID 169257027
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
3-(4-chloro-2-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136873215
2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]-1H-quinolin-4-one
CID 2965787
2-(4-tert-butyl-2-ethylphenyl)-1H-quinolin-4-one
CID 169256836
6-chloro-4-methoxy-1H-quinolin-2-one
CID 67443391
2-(5-tert-butyl-2-methylphenyl)-1H-quinolin-4-one
CID 169256966
8,9-dimethoxy-5H-phenanthridin-6-one
CID 12703535
2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one
CID 77230218
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
1-(5-chloro-2-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 4555543

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one (CID 170408677) is 2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one is COc1cc(Cl)ccc1-c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one?
The InChIKey is JUCOYRURRBNVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-20-16-8-10(17)6-7-12(16)14-9-15(19)11-4-2-3-5-13(11)18-14/h2-9H,1H3,(H,18,19).
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one?
2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one has a molecular weight of 285.73 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 170408677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).