1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid

C17H13NO4 — CID 82251488

IUPAC1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid
SMILESCn1c(C(=O)O)cc(=O)c2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C17H13NO4/c1-18-14-8-7-12(22-11-5-3-2-4-6-11)9-13(14)16(19)10-15(18)17(20)21/h2-10H,1H3,(H,20,21)
InChIKeyZJRMIDDGQMNMLX-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.03
Rot. Bonds3

About 1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid

1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid (PubChem CID 82251488) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid
PubChem CID82251488
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid
SMILESCn1c(C(=O)O)cc(=O)c2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C17H13NO4/c1-18-14-8-7-12(22-11-5-3-2-4-6-11)9-13(14)16(19)10-15(18)17(20)21/h2-10H,1H3,(H,20,21)
InChIKeyZJRMIDDGQMNMLX-UHFFFAOYSA-N
XLogP3.03
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-1-methyl-4-(4-phenoxyphenyl)sulfanylindole-2-carboxylic acid
CID 142454192
1,3-dimethyl-5-phenoxyindole-2-carbaldehyde
CID 82501585
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
4-chloro-6-[4-(hydroxymethyl)phenoxy]-1-methylindole-2-carboxylic acid
CID 140972332
1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid
CID 2801572
4-amino-1-methylindole-2-carboxylic acid
CID 84771435
1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251138
5-phenoxy-1-prop-2-enylindole-2-carboxylic acid
CID 83968505
2-methoxycarbonyl-4-phenoxybenzoic acid
CID 142601044
N-[2-(diethylamino)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide
CID 7276879
ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate
CID 76852698
1-methyl-4-phenoxybenzene;phthalic acid
CID 70486584

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid?
The IUPAC name of 1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid (CID 82251488) is 1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid is Cn1c(C(=O)O)cc(=O)c2cc(Oc3ccccc3)ccc21.
What is the InChIKey of 1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid?
The InChIKey is ZJRMIDDGQMNMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-18-14-8-7-12(22-11-5-3-2-4-6-11)9-13(14)16(19)10-15(18)17(20)21/h2-10H,1H3,(H,20,21).
What are the key properties of 1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid?
1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 82251488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).