3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid

C11H10N2O4 — CID 117264509

IUPAC3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
SMILESO=C(O)CCn1cnc2cc(O)ccc2c1=O
InChIInChI=1S/C11H10N2O4/c14-7-1-2-8-9(5-7)12-6-13(11(8)17)4-3-10(15)16/h1-2,5-6,14H,3-4H2,(H,15,16)
InChIKeyTUURSMYLZPPULH-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.58
Rot. Bonds3

About 3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid

3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid (PubChem CID 117264509) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
PubChem CID117264509
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
SMILESO=C(O)CCn1cnc2cc(O)ccc2c1=O
InChIInChI=1S/C11H10N2O4/c14-7-1-2-8-9(5-7)12-6-13(11(8)17)4-3-10(15)16/h1-2,5-6,14H,3-4H2,(H,15,16)
InChIKeyTUURSMYLZPPULH-UHFFFAOYSA-N
XLogP0.58
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
CID 112707958
3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264503
3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264860
3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158
3-(5-chloro-4-oxoquinazolin-3-yl)propanoic acid
CID 117263812
4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137206
3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid
CID 4835709
3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride
CID 45371352
3-(2-aminoethyl)-7-methylquinazolin-4-one
CID 117264406
3-(2-hydroxyethyl)-7-methylquinazolin-4-one
CID 117264165
3-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid
CID 117264856
6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264089

Frequently Asked Questions

What is the IUPAC name of 3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid?
The IUPAC name of 3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid (CID 117264509) is 3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid?
The canonical SMILES for 3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid is O=C(O)CCn1cnc2cc(O)ccc2c1=O.
What is the InChIKey of 3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid?
The InChIKey is TUURSMYLZPPULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-7-1-2-8-9(5-7)12-6-13(11(8)17)4-3-10(15)16/h1-2,5-6,14H,3-4H2,(H,15,16).
What are the key properties of 3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid?
3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid has a molecular weight of 234.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid is sourced from PubChem (CID 117264509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).