5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid

C15H10N2O5 — CID 24971000

IUPAC5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid
SMILESO=C(O)c1cc(O)ccc1-n1cnc2ccc(O)cc2c1=O
InChIInChI=1S/C15H10N2O5/c18-8-1-3-12-10(5-8)14(20)17(7-16-12)13-4-2-9(19)6-11(13)15(21)22/h1-7,18-19H,(H,21,22)
InChIKeyFXZCCEVBAKIWDL-UHFFFAOYSA-N
MW298.25 g/mol
LogP1.50
Rot. Bonds2

About 5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid

5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid (PubChem CID 24971000) has the molecular formula C15H10N2O5 and a molecular weight of 298.25 g/mol. Its IUPAC name is 5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid
PubChem CID24971000
Molecular FormulaC15H10N2O5
Molecular Weight298.25 g/mol
Exact Mass298.06
IUPAC Name5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid
SMILESO=C(O)c1cc(O)ccc1-n1cnc2ccc(O)cc2c1=O
InChIInChI=1S/C15H10N2O5/c18-8-1-3-12-10(5-8)14(20)17(7-16-12)13-4-2-9(19)6-11(13)15(21)22/h1-7,18-19H,(H,21,22)
InChIKeyFXZCCEVBAKIWDL-UHFFFAOYSA-N
XLogP1.50
TPSA112.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide
CID 66919147
[5-methoxy-2-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]methyl acetate
CID 24740953
3-(6-bromo-4-oxoquinazolin-3-yl)-4-methylbenzoic acid
CID 69229431
2-(benzimidazol-1-yl)-5-fluorobenzoic acid
CID 43313103
3-(4-oxoquinazolin-3-yl)benzoic acid
CID 7749421
2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid
CID 84695435
6-amino-3-(5-chloro-2-hydroxyphenyl)quinazolin-4-one
CID 16641541
3-(6-amino-4-oxoquinazolin-3-yl)benzoic acid
CID 16641551
6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264089
2-(azepan-1-yl)-5-hydroxybenzoic acid
CID 12784733
6-hydroxy-4-propan-2-ylquinoline-3-carboxylic acid
CID 105489171
2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid
CID 61406083

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid?
The IUPAC name of 5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid (CID 24971000) is 5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid.
What is the SMILES notation for 5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid?
The canonical SMILES for 5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid is O=C(O)c1cc(O)ccc1-n1cnc2ccc(O)cc2c1=O.
What is the InChIKey of 5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid?
The InChIKey is FXZCCEVBAKIWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O5/c18-8-1-3-12-10(5-8)14(20)17(7-16-12)13-4-2-9(19)6-11(13)15(21)22/h1-7,18-19H,(H,21,22).
What are the key properties of 5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid?
5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid has a molecular weight of 298.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(6-hydroxy-4-oxoquinazolin-3-yl)benzoic acid is sourced from PubChem (CID 24971000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).