4-(2-methoxyanilino)quinazoline-7-carboxylic acid

C16H13N3O3 — CID 1414161

IUPAC4-(2-methoxyanilino)quinazoline-7-carboxylic acid
SMILESCOc1ccccc1Nc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C16H13N3O3/c1-22-14-5-3-2-4-12(14)19-15-11-7-6-10(16(20)21)8-13(11)17-9-18-15/h2-9H,1H3,(H,20,21)(H,17,18,19)
InChIKeyGAQSKTCHIXMRIZ-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.08
Rot. Bonds4

About 4-(2-methoxyanilino)quinazoline-7-carboxylic acid

4-(2-methoxyanilino)quinazoline-7-carboxylic acid (PubChem CID 1414161) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-(2-methoxyanilino)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyanilino)quinazoline-7-carboxylic acid
PubChem CID1414161
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name4-(2-methoxyanilino)quinazoline-7-carboxylic acid
SMILESCOc1ccccc1Nc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C16H13N3O3/c1-22-14-5-3-2-4-12(14)19-15-11-7-6-10(16(20)21)8-13(11)17-9-18-15/h2-9H,1H3,(H,20,21)(H,17,18,19)
InChIKeyGAQSKTCHIXMRIZ-UHFFFAOYSA-N
XLogP3.08
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(quinazolin-4-ylamino)benzoic acid
CID 110434771
N-(2-ethoxyphenyl)-7-methoxyquinazolin-4-amine
CID 110434377
4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride
CID 20982572
4-(3-methylanilino)quinazoline-7-carboxylic acid
CID 1414137
6-ethyl-N-(2-methoxyphenyl)quinazolin-4-amine
CID 21002616
4-(propylamino)quinazoline-7-carboxylic acid
CID 2061674
4-[(1-methyl-3-propan-2-yloxypyrazol-4-yl)amino]quinazoline-7-carboxylic acid
CID 166349095
4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
4-(4-methoxybutylamino)quinazoline-7-carboxylic acid
CID 63263517
4-(5-ethylsulfonyl-2-hydroxyanilino)quinazoline-7-carboxylic acid
CID 1414261
N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875105
4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144325

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyanilino)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(2-methoxyanilino)quinazoline-7-carboxylic acid (CID 1414161) is 4-(2-methoxyanilino)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyanilino)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(2-methoxyanilino)quinazoline-7-carboxylic acid is COc1ccccc1Nc1ncnc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-(2-methoxyanilino)quinazoline-7-carboxylic acid?
The InChIKey is GAQSKTCHIXMRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-14-5-3-2-4-12(14)19-15-11-7-6-10(16(20)21)8-13(11)17-9-18-15/h2-9H,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-(2-methoxyanilino)quinazoline-7-carboxylic acid?
4-(2-methoxyanilino)quinazoline-7-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyanilino)quinazoline-7-carboxylic acid is sourced from PubChem (CID 1414161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).