2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid

C19H16N2O4 — CID 10449658

IUPAC2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid
SMILESCOc1ccc2cc(C(=O)O)c(Nc3cccc(C(C)=O)c3)nc2c1
InChIInChI=1S/C19H16N2O4/c1-11(22)12-4-3-5-14(8-12)20-18-16(19(23)24)9-13-6-7-15(25-2)10-17(13)21-18/h3-10H,1-2H3,(H,20,21)(H,23,24)
InChIKeyZDZIIHSKJYSMKF-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.89
Rot. Bonds5

About 2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid

2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid (PubChem CID 10449658) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid
PubChem CID10449658
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid
SMILESCOc1ccc2cc(C(=O)O)c(Nc3cccc(C(C)=O)c3)nc2c1
InChIInChI=1S/C19H16N2O4/c1-11(22)12-4-3-5-14(8-12)20-18-16(19(23)24)9-13-6-7-15(25-2)10-17(13)21-18/h3-10H,1-2H3,(H,20,21)(H,23,24)
InChIKeyZDZIIHSKJYSMKF-UHFFFAOYSA-N
XLogP3.89
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_J(1)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 10131496
N-(3-acetylphenyl)-6-methoxyquinoline-2-carboxamide
CID 18131971
7-methoxy-2-(propylamino)quinoline-3-carboxylic acid
CID 10400374
methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate
CID 41499824
1-[3-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866236
2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid
CID 10379413
1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone
CID 20952694
1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea
CID 44569443
3-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]benzoic acid
CID 71691164
2-(3-acetamidophenyl)-5-methoxybenzoic acid
CID 53227035
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
1-[3-[[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]phenyl]ethanone
CID 53054493

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid?
The IUPAC name of 2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid (CID 10449658) is 2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid?
The canonical SMILES for 2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid is COc1ccc2cc(C(=O)O)c(Nc3cccc(C(C)=O)c3)nc2c1.
What is the InChIKey of 2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid?
The InChIKey is ZDZIIHSKJYSMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11(22)12-4-3-5-14(8-12)20-18-16(19(23)24)9-13-6-7-15(25-2)10-17(13)21-18/h3-10H,1-2H3,(H,20,21)(H,23,24).
What are the key properties of 2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid?
2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 10449658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).