3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid

C11H10N2O5 — CID 117262745

IUPAC3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid
SMILESO=C(O)CCn1c(=O)[nH]c2ccc(O)cc2c1=O
InChIInChI=1S/C11H10N2O5/c14-6-1-2-8-7(5-6)10(17)13(11(18)12-8)4-3-9(15)16/h1-2,5,14H,3-4H2,(H,12,18)(H,15,16)
InChIKeyZEJBSIDILLYKNF-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.13
Rot. Bonds3

About 3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid

3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid (PubChem CID 117262745) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid
PubChem CID117262745
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid
SMILESO=C(O)CCn1c(=O)[nH]c2ccc(O)cc2c1=O
InChIInChI=1S/C11H10N2O5/c14-6-1-2-8-7(5-6)10(17)13(11(18)12-8)4-3-9(15)16/h1-2,5,14H,3-4H2,(H,12,18)(H,15,16)
InChIKeyZEJBSIDILLYKNF-UHFFFAOYSA-N
XLogP-0.13
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261338
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-1H-quinazoline-2,4-dione;hydrate;hydrochloride
CID 70436834
3-(5,6-difluoro-2-oxo-3H-benzimidazol-1-yl)propanoic acid
CID 55230407
3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261194
2-(7-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde
CID 117262789
3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione
CID 4910902
N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide
CID 118576595
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261298
3-butyl-6-nitro-1H-quinazoline-2,4-dione
CID 101422507
acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid?
The IUPAC name of 3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid (CID 117262745) is 3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid?
The canonical SMILES for 3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid is O=C(O)CCn1c(=O)[nH]c2ccc(O)cc2c1=O.
What is the InChIKey of 3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid?
The InChIKey is ZEJBSIDILLYKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-6-1-2-8-7(5-6)10(17)13(11(18)12-8)4-3-9(15)16/h1-2,5,14H,3-4H2,(H,12,18)(H,15,16).
What are the key properties of 3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid?
3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid has a molecular weight of 250.21 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanoic acid is sourced from PubChem (CID 117262745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).