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

C16H12ClNO2 — CID 70694151

IUPAC3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one
SMILESCOc1ccc(-c2[nH]c3ccccc3c(=O)c2Cl)cc1
InChIInChI=1S/C16H12ClNO2/c1-20-11-8-6-10(7-9-11)15-14(17)16(19)12-4-2-3-5-13(12)18-15/h2-9H,1H3,(H,18,19)
InChIKeyCGRDHYMAXUJKSV-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.86
Rot. Bonds2

About 3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one

3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one (PubChem CID 70694151) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one
PubChem CID70694151
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one
SMILESCOc1ccc(-c2[nH]c3ccccc3c(=O)c2Cl)cc1
InChIInChI=1S/C16H12ClNO2/c1-20-11-8-6-10(7-9-11)15-14(17)16(19)12-4-2-3-5-13(12)18-15/h2-9H,1H3,(H,18,19)
InChIKeyCGRDHYMAXUJKSV-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one?
The IUPAC name of 3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one (CID 70694151) is 3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one?
The canonical SMILES for 3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one is COc1ccc(-c2[nH]c3ccccc3c(=O)c2Cl)cc1.
What is the InChIKey of 3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one?
The InChIKey is CGRDHYMAXUJKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-20-11-8-6-10(7-9-11)15-14(17)16(19)12-4-2-3-5-13(12)18-15/h2-9H,1H3,(H,18,19).
What are the key properties of 3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one?
3-chloro-2-(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 3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 70694151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).