1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid

C12H14N2O3 — CID 83858991

IUPAC1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2nc(=O)[nH]c3c2CCCC3)CC1
InChIInChI=1S/C12H14N2O3/c15-10(16)12(5-6-12)9-7-3-1-2-4-8(7)13-11(17)14-9/h1-6H2,(H,15,16)(H,13,14,17)
InChIKeyUNQSUFBEBSLVNG-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.76
Rot. Bonds2

About 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid

1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 83858991) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid
PubChem CID83858991
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2nc(=O)[nH]c3c2CCCC3)CC1
InChIInChI=1S/C12H14N2O3/c15-10(16)12(5-6-12)9-7-3-1-2-4-8(7)13-11(17)14-9/h1-6H2,(H,15,16)(H,13,14,17)
InChIKeyUNQSUFBEBSLVNG-UHFFFAOYSA-N
XLogP0.76
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid (CID 83858991) is 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2nc(=O)[nH]c3c2CCCC3)CC1.
What is the InChIKey of 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is UNQSUFBEBSLVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-10(16)12(5-6-12)9-7-3-1-2-4-8(7)13-11(17)14-9/h1-6H2,(H,15,16)(H,13,14,17).
What are the key properties of 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid?
1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83858991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).