3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid

C15H16N2O4 — CID 80713286

IUPAC3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid
SMILESO=C(O)CCc1nc2ccccc2c(=O)n1C1CCOC1
InChIInChI=1S/C15H16N2O4/c18-14(19)6-5-13-16-12-4-2-1-3-11(12)15(20)17(13)10-7-8-21-9-10/h1-4,10H,5-9H2,(H,18,19)
InChIKeyAWKSFQRERZKANY-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.38
Rot. Bonds4

About 3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid

3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid (PubChem CID 80713286) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid
PubChem CID80713286
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid
SMILESO=C(O)CCc1nc2ccccc2c(=O)n1C1CCOC1
InChIInChI=1S/C15H16N2O4/c18-14(19)6-5-13-16-12-4-2-1-3-11(12)15(20)17(13)10-7-8-21-9-10/h1-4,10H,5-9H2,(H,18,19)
InChIKeyAWKSFQRERZKANY-UHFFFAOYSA-N
XLogP1.38
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
(2-methoxy-2-oxoethyl) 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43050906
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide
CID 56547700
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013163
methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580760
2-(1-chloroethyl)-3-(oxan-3-yl)quinazolin-4-one
CID 63361358
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55515218
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009414
N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 55454987
methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate
CID 43025388
[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 46809068
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 55358331

Frequently Asked Questions

What is the IUPAC name of 3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid?
The IUPAC name of 3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid (CID 80713286) is 3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid.
What is the SMILES notation for 3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid?
The canonical SMILES for 3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid is O=C(O)CCc1nc2ccccc2c(=O)n1C1CCOC1.
What is the InChIKey of 3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid?
The InChIKey is AWKSFQRERZKANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-14(19)6-5-13-16-12-4-2-1-3-11(12)15(20)17(13)10-7-8-21-9-10/h1-4,10H,5-9H2,(H,18,19).
What are the key properties of 3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid?
3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid is sourced from PubChem (CID 80713286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).