3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid

C11H10N2O4 — CID 117264860

IUPAC3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
SMILESO=C(O)CCn1cnc2c(O)cccc2c1=O
InChIInChI=1S/C11H10N2O4/c14-8-3-1-2-7-10(8)12-6-13(11(7)17)5-4-9(15)16/h1-3,6,14H,4-5H2,(H,15,16)
InChIKeyDQDNOZIBTWTPII-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.58
Rot. Bonds3

About 3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid

3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid (PubChem CID 117264860) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
PubChem CID117264860
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
SMILESO=C(O)CCn1cnc2c(O)cccc2c1=O
InChIInChI=1S/C11H10N2O4/c14-8-3-1-2-7-10(8)12-6-13(11(7)17)5-4-9(15)16/h1-3,6,14H,4-5H2,(H,15,16)
InChIKeyDQDNOZIBTWTPII-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-(8-chloro-4-oxoquinazolin-3-yl)propanoic acid
CID 117264856
2-(8-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde
CID 117264556
8-hydroxy-3-(methylaminomethyl)quinazolin-4-one
CID 117264733
3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264509
4-[methyl-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137222
2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid
CID 119204774
8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 59242565
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264503
3-(5-chloro-4-oxoquinazolin-3-yl)propanoic acid
CID 117263812
3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
CID 112707958

Frequently Asked Questions

What is the IUPAC name of 3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid?
The IUPAC name of 3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid (CID 117264860) is 3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid?
The canonical SMILES for 3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid is O=C(O)CCn1cnc2c(O)cccc2c1=O.
What is the InChIKey of 3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid?
The InChIKey is DQDNOZIBTWTPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-8-3-1-2-7-10(8)12-6-13(11(7)17)5-4-9(15)16/h1-3,6,14H,4-5H2,(H,15,16).
What are the key properties of 3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid?
3-(8-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-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid is sourced from PubChem (CID 117264860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).