2-(2,4-dioxoquinazolin-1-yl)benzoic acid

C15H10N2O4 — CID 71365041

IUPAC2-(2,4-dioxoquinazolin-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1-n1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C15H10N2O4/c18-13-9-5-1-3-7-11(9)17(15(21)16-13)12-8-4-2-6-10(12)14(19)20/h1-8H,(H,19,20)(H,16,18,21)
InChIKeyAQDIPTUVOCVNKW-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.38
Rot. Bonds2

About 2-(2,4-dioxoquinazolin-1-yl)benzoic acid

2-(2,4-dioxoquinazolin-1-yl)benzoic acid (PubChem CID 71365041) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-(2,4-dioxoquinazolin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(2,4-dioxoquinazolin-1-yl)benzoic acid
PubChem CID71365041
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name2-(2,4-dioxoquinazolin-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1-n1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C15H10N2O4/c18-13-9-5-1-3-7-11(9)17(15(21)16-13)12-8-4-2-6-10(12)14(19)20/h1-8H,(H,19,20)(H,16,18,21)
InChIKeyAQDIPTUVOCVNKW-UHFFFAOYSA-N
XLogP1.38
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Phenylanthranilic Acid
CID 4386
2-(Benzoylamino)benzoic acid
CID 68482
Diphenylamine-2,2'-dicarboxylic acid
CID 11371
2-(2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 3117364
2-(2-Phenylacetamido)benzoic acid
CID 766289
3-Phenylquinazoline-2,4-dione
CID 242637
Benzoic acid, 2,2'-[1,4-phenylenebis(carbonylimino)]bis-
CID 1069143
N-(2-Methylphenyl)anthranilic acid
CID 85510
4-(2,4-Dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanoic acid
CID 3241251
3-(2,4-Dioxo-1,3-diazinan-1-yl)-4-methylbenzoic acid
CID 139534352
2-[(Morpholin-4-ylcarbonyl)amino]benzoic acid
CID 1511124
2-[(4-methyl-6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino]benzoic acid
CID 698347

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoquinazolin-1-yl)benzoic acid?
The IUPAC name of 2-(2,4-dioxoquinazolin-1-yl)benzoic acid (CID 71365041) is 2-(2,4-dioxoquinazolin-1-yl)benzoic acid.
What is the SMILES notation for 2-(2,4-dioxoquinazolin-1-yl)benzoic acid?
The canonical SMILES for 2-(2,4-dioxoquinazolin-1-yl)benzoic acid is O=C(O)c1ccccc1-n1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of 2-(2,4-dioxoquinazolin-1-yl)benzoic acid?
The InChIKey is AQDIPTUVOCVNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-13-9-5-1-3-7-11(9)17(15(21)16-13)12-8-4-2-6-10(12)14(19)20/h1-8H,(H,19,20)(H,16,18,21).
What are the key properties of 2-(2,4-dioxoquinazolin-1-yl)benzoic acid?
2-(2,4-dioxoquinazolin-1-yl)benzoic acid has a molecular weight of 282.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoquinazolin-1-yl)benzoic acid is sourced from PubChem (CID 71365041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).