4-oxo-3H-quinazoline-7-carboxylic acid

C9H6N2O3 — CID 135483588

IUPAC4-oxo-3H-quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C9H6N2O3/c12-8-6-2-1-5(9(13)14)3-7(6)10-4-11-8/h1-4H,(H,13,14)(H,10,11,12)
InChIKeyICASWNVSUDFGRH-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.62
Rot. Bonds1

About 4-oxo-3H-quinazoline-7-carboxylic acid

4-oxo-3H-quinazoline-7-carboxylic acid (PubChem CID 135483588) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 4-oxo-3H-quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3H-quinazoline-7-carboxylic acid
PubChem CID135483588
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name4-oxo-3H-quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C9H6N2O3/c12-8-6-2-1-5(9(13)14)3-7(6)10-4-11-8/h1-4H,(H,13,14)(H,10,11,12)
InChIKeyICASWNVSUDFGRH-UHFFFAOYSA-N
XLogP0.62
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Guanidino-4-(methylcarbamoyl)benzoic acid
CID 506096
2-(Chloromethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid
CID 135510268
4-[(E)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]benzoic acid
CID 135681222
9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 2394026
3,4-Dihydro-6-hydroxy-4-oxoquinazoline
CID 135489577
3-cyclohexyl-4H-quinazoline-7-carboxylic acid
CID 45488316
2-[2-(Dimethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid
CID 2128506
2-(4-Oxo-3,4-dihydroquinazolin-3-yl)benzoic acid
CID 4381224
12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxylic acid
CID 2394058
Methyl 4-hydroxyquinazoline-7-carboxylate
CID 135481487
2-Amino-4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzoic acid
CID 155534669
11-Oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazoline-3-carboxylic acid
CID 13911945

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3H-quinazoline-7-carboxylic acid?
The IUPAC name of 4-oxo-3H-quinazoline-7-carboxylic acid (CID 135483588) is 4-oxo-3H-quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-oxo-3H-quinazoline-7-carboxylic acid?
The canonical SMILES for 4-oxo-3H-quinazoline-7-carboxylic acid is O=C(O)c1ccc2c(=O)[nH]cnc2c1.
What is the InChIKey of 4-oxo-3H-quinazoline-7-carboxylic acid?
The InChIKey is ICASWNVSUDFGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-8-6-2-1-5(9(13)14)3-7(6)10-4-11-8/h1-4H,(H,13,14)(H,10,11,12).
What are the key properties of 4-oxo-3H-quinazoline-7-carboxylic acid?
4-oxo-3H-quinazoline-7-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3H-quinazoline-7-carboxylic acid is sourced from PubChem (CID 135483588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).