4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride

C15H12ClN3O3 — CID 20982572

IUPAC4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(Nc3cccc(O)c3)ncnc2c1
InChIInChI=1S/C15H11N3O3.ClH/c19-11-3-1-2-10(7-11)18-14-12-5-4-9(15(20)21)6-13(12)16-8-17-14;/h1-8,19H,(H,20,21)(H,16,17,18);1H
InChIKeyMXTJHCNRSGRGSU-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.20
Rot. Bonds3

About 4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride

4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride (PubChem CID 20982572) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride
PubChem CID20982572
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(Nc3cccc(O)c3)ncnc2c1
InChIInChI=1S/C15H11N3O3.ClH/c19-11-3-1-2-10(7-11)18-14-12-5-4-9(15(20)21)6-13(12)16-8-17-14;/h1-8,19H,(H,20,21)(H,16,17,18);1H
InChIKeyMXTJHCNRSGRGSU-UHFFFAOYSA-N
XLogP3.20
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylanilino)quinazoline-7-carboxylic acid
CID 1414137
4-(3-carboxy-4-hydroxyanilino)quinazoline-7-carboxylic acid
CID 1414259
4-(2-methoxyanilino)quinazoline-7-carboxylic acid
CID 1414161
5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid
CID 21002389
methyl 4-(3-ethynylanilino)quinazoline-7-carboxylate;hydrochloride
CID 18925025
4-(propylamino)quinazoline-7-carboxylic acid
CID 2061674
3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol
CID 42641380
3-[(6-nitroquinazolin-4-yl)amino]phenol
CID 7200288
4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
4-anilinoquinazolin-6-ol;ethane
CID 91520479
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid
CID 115455108

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride?
The IUPAC name of 4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride (CID 20982572) is 4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2c(Nc3cccc(O)c3)ncnc2c1.
What is the InChIKey of 4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride?
The InChIKey is MXTJHCNRSGRGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3.ClH/c19-11-3-1-2-10(7-11)18-14-12-5-4-9(15(20)21)6-13(12)16-8-17-14;/h1-8,19H,(H,20,21)(H,16,17,18);1H.
What are the key properties of 4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride?
4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride has a molecular weight of 317.73 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyanilino)quinazoline-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 20982572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).