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

C16H12ClNO3 — CID 54710481

IUPAC7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one
SMILESCOc1ccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C16H12ClNO3/c1-21-11-5-2-9(3-6-11)14-15(19)12-7-4-10(17)8-13(12)18-16(14)20/h2-8H,1H3,(H2,18,19,20)
InChIKeyMHXSGWXGDDQYCG-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.56
Rot. Bonds2

About 7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one

7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one (PubChem CID 54710481) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one
PubChem CID54710481
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC Name7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one
SMILESCOc1ccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C16H12ClNO3/c1-21-11-5-2-9(3-6-11)14-15(19)12-7-4-10(17)8-13(12)18-16(14)20/h2-8H,1H3,(H2,18,19,20)
InChIKeyMHXSGWXGDDQYCG-UHFFFAOYSA-N
XLogP3.56
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one (CID 54710481) is 7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one is COc1ccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)cc1.
What is the InChIKey of 7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one?
The InChIKey is MHXSGWXGDDQYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c1-21-11-5-2-9(3-6-11)14-15(19)12-7-4-10(17)8-13(12)18-16(14)20/h2-8H,1H3,(H2,18,19,20).
What are the key properties of 7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one has a molecular weight of 301.73 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 54710481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).