4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate

C16H12NO3- — CID 102515376

IUPAC4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate
SMILESCOc1ccc(-c2c([O-])c(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H13NO3/c1-20-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)17-16(19)15(14)18/h2-9,18H,1H3,(H,17,19)/p-1
InChIKeyMRADUAZPSIKGLX-UHFFFAOYSA-M
MW266.28 g/mol
LogP2.28
Rot. Bonds2

About 4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate

4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate (PubChem CID 102515376) has the molecular formula C16H12NO3- and a molecular weight of 266.28 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate
PubChem CID102515376
Molecular FormulaC16H12NO3-
Molecular Weight266.28 g/mol
Exact Mass266.08
IUPAC Name4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate
SMILESCOc1ccc(-c2c([O-])c(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H13NO3/c1-20-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)17-16(19)15(14)18/h2-9,18H,1H3,(H,17,19)/p-1
InChIKeyMRADUAZPSIKGLX-UHFFFAOYSA-M
XLogP2.28
TPSA65.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate?
The IUPAC name of 4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate (CID 102515376) is 4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate?
The canonical SMILES for 4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate is COc1ccc(-c2c([O-])c(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate?
The InChIKey is MRADUAZPSIKGLX-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13NO3/c1-20-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)17-16(19)15(14)18/h2-9,18H,1H3,(H,17,19)/p-1.
What are the key properties of 4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate?
4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate has a molecular weight of 266.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-oxo-1H-quinolin-3-olate is sourced from PubChem (CID 102515376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).