2-(4-oxoquinazolin-3-yl)propanoic acid

C11H10N2O3 — CID 3145451

IUPAC2-(4-oxoquinazolin-3-yl)propanoic acid
SMILESCC(C(=O)O)n1cnc2ccccc2c1=O
InChIInChI=1S/C11H10N2O3/c1-7(11(15)16)13-6-12-9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H,15,16)
InChIKeyAOIOGRLXASIYJK-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.04
Rot. Bonds2

About 2-(4-oxoquinazolin-3-yl)propanoic acid

2-(4-oxoquinazolin-3-yl)propanoic acid (PubChem CID 3145451) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)propanoic acid
PubChem CID3145451
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(4-oxoquinazolin-3-yl)propanoic acid
SMILESCC(C(=O)O)n1cnc2ccccc2c1=O
InChIInChI=1S/C11H10N2O3/c1-7(11(15)16)13-6-12-9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H,15,16)
InChIKeyAOIOGRLXASIYJK-UHFFFAOYSA-N
XLogP1.04
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)propanoic acid?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)propanoic acid (CID 3145451) is 2-(4-oxoquinazolin-3-yl)propanoic acid.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)propanoic acid?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)propanoic acid is CC(C(=O)O)n1cnc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)propanoic acid?
The InChIKey is AOIOGRLXASIYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7(11(15)16)13-6-12-9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H,15,16).
What are the key properties of 2-(4-oxoquinazolin-3-yl)propanoic acid?
2-(4-oxoquinazolin-3-yl)propanoic acid has a molecular weight of 218.21 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)propanoic acid is sourced from PubChem (CID 3145451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).