6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one

C16H12ClNO2 — CID 166443646

IUPAC6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one
SMILESCOc1ccc(-c2c[nH]c3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C16H12ClNO2/c1-20-12-5-2-10(3-6-12)14-9-18-15-7-4-11(17)8-13(15)16(14)19/h2-9H,1H3,(H,18,19)
InChIKeyIBYGCCNDYDEJJD-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.86
Rot. Bonds2

About 6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one

6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one (PubChem CID 166443646) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one
PubChem CID166443646
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one
SMILESCOc1ccc(-c2c[nH]c3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C16H12ClNO2/c1-20-12-5-2-10(3-6-12)14-9-18-15-7-4-11(17)8-13(15)16(14)19/h2-9H,1H3,(H,18,19)
InChIKeyIBYGCCNDYDEJJD-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

7-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 71356875
7-methoxy-3-phenyl-1H-quinolin-4-one
CID 18771325
3-chloro-4-(5-methoxy-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480665
3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22308775
1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
CID 63879051
5-chloro-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole
CID 175416676
6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
CID 86188129
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
(5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882260
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole
CID 11033510
2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 113210095

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one?
The IUPAC name of 6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one (CID 166443646) is 6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one is COc1ccc(-c2c[nH]c3ccc(Cl)cc3c2=O)cc1.
What is the InChIKey of 6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one?
The InChIKey is IBYGCCNDYDEJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-20-12-5-2-10(3-6-12)14-9-18-15-7-4-11(17)8-13(15)16(14)19/h2-9H,1H3,(H,18,19).
What are the key properties of 6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one?
6-chloro-3-(4-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 6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 166443646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).