2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid

C18H13NO4 — CID 67205145

IUPAC2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
SMILESCC(=O)Oc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C18H13NO4/c1-11(20)23-13-8-6-12(7-9-13)17-10-15(18(21)22)14-4-2-3-5-16(14)19-17/h2-10H,1H3,(H,21,22)
InChIKeyOWFFGIJCRCHHFY-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.53
Rot. Bonds3

About 2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid

2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid (PubChem CID 67205145) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
PubChem CID67205145
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
SMILESCC(=O)Oc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C18H13NO4/c1-11(20)23-13-8-6-12(7-9-13)17-10-15(18(21)22)14-4-2-3-5-16(14)19-17/h2-10H,1H3,(H,21,22)
InChIKeyOWFFGIJCRCHHFY-UHFFFAOYSA-N
XLogP3.53
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-(4-acetyloxyphenyl)quinoline-4-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

[2-(4-acetyloxyphenyl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 126190703
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
(4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1128701
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
CID 87530134
CID 87530134
2-(4-acetyloxyphenyl)quinoline-3-carboxylic acid
CID 67205702
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 1218453
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid (CID 67205145) is 2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid is CC(=O)Oc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is OWFFGIJCRCHHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c1-11(20)23-13-8-6-12(7-9-13)17-10-15(18(21)22)14-4-2-3-5-16(14)19-17/h2-10H,1H3,(H,21,22).
What are the key properties of 2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid?
2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 67205145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).