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

C14H14N2O3 — CID 7131753

IUPAC3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C14H14N2O3/c17-13(18)8-7-12-15-11-4-2-1-3-10(11)14(19)16(12)9-5-6-9/h1-4,9H,5-8H2,(H,17,18)
InChIKeyFZKXSCCECPVLLH-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.75
Rot. Bonds4

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

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid (PubChem CID 7131753) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
PubChem CID7131753
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C14H14N2O3/c17-13(18)8-7-12-15-11-4-2-1-3-10(11)14(19)16(12)9-5-6-9/h1-4,9H,5-8H2,(H,17,18)
InChIKeyFZKXSCCECPVLLH-UHFFFAOYSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid?
The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid (CID 7131753) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid?
The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid is O=C(O)CCc1nc2ccccc2c(=O)n1C1CC1.
What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid?
The InChIKey is FZKXSCCECPVLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13(18)8-7-12-15-11-4-2-1-3-10(11)14(19)16(12)9-5-6-9/h1-4,9H,5-8H2,(H,17,18).
What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid?
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid is sourced from PubChem (CID 7131753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).