4-(3-methylanilino)quinazoline-7-carboxylic acid

C16H13N3O2 — CID 1414137

IUPAC4-(3-methylanilino)quinazoline-7-carboxylic acid
SMILESCc1cccc(Nc2ncnc3cc(C(=O)O)ccc23)c1
InChIInChI=1S/C16H13N3O2/c1-10-3-2-4-12(7-10)19-15-13-6-5-11(16(20)21)8-14(13)17-9-18-15/h2-9H,1H3,(H,20,21)(H,17,18,19)
InChIKeyYIEFGGZKSXIYFW-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.38
Rot. Bonds3

About 4-(3-methylanilino)quinazoline-7-carboxylic acid

4-(3-methylanilino)quinazoline-7-carboxylic acid (PubChem CID 1414137) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(3-methylanilino)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylanilino)quinazoline-7-carboxylic acid
PubChem CID1414137
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-(3-methylanilino)quinazoline-7-carboxylic acid
SMILESCc1cccc(Nc2ncnc3cc(C(=O)O)ccc23)c1
InChIInChI=1S/C16H13N3O2/c1-10-3-2-4-12(7-10)19-15-13-6-5-11(16(20)21)8-14(13)17-9-18-15/h2-9H,1H3,(H,20,21)(H,17,18,19)
InChIKeyYIEFGGZKSXIYFW-UHFFFAOYSA-N
XLogP3.38
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride
CID 20982572
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
4-(3-carboxy-4-hydroxyanilino)quinazoline-7-carboxylic acid
CID 1414259
N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide
CID 19001462
4-(propylamino)quinazoline-7-carboxylic acid
CID 2061674
1-[4-[[5-amino-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 19148242
4-(2-methoxyanilino)quinazoline-7-carboxylic acid
CID 1414161
4-methyl-3-(quinazolin-4-ylamino)benzoic acid
CID 110434771
5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid
CID 21002389
3-(cyclopropylamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 69264255
4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
methyl 4-(3-ethynylanilino)quinazoline-7-carboxylate;hydrochloride
CID 18925025

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylanilino)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(3-methylanilino)quinazoline-7-carboxylic acid (CID 1414137) is 4-(3-methylanilino)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(3-methylanilino)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(3-methylanilino)quinazoline-7-carboxylic acid is Cc1cccc(Nc2ncnc3cc(C(=O)O)ccc23)c1.
What is the InChIKey of 4-(3-methylanilino)quinazoline-7-carboxylic acid?
The InChIKey is YIEFGGZKSXIYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-3-2-4-12(7-10)19-15-13-6-5-11(16(20)21)8-14(13)17-9-18-15/h2-9H,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-(3-methylanilino)quinazoline-7-carboxylic acid?
4-(3-methylanilino)quinazoline-7-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylanilino)quinazoline-7-carboxylic acid is sourced from PubChem (CID 1414137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).