2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C16H22N2O2 — CID 81423623

IUPAC2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCCC1CCC(c2ncc3c(n2)CCC(C(=O)O)C3)C1
InChIInChI=1S/C16H22N2O2/c1-2-10-3-4-11(7-10)15-17-9-13-8-12(16(19)20)5-6-14(13)18-15/h9-12H,2-8H2,1H3,(H,19,20)
InChIKeyZJGZCXYJTGPUEI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.96
Rot. Bonds3

About 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423623) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423623
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCCC1CCC(c2ncc3c(n2)CCC(C(=O)O)C3)C1
InChIInChI=1S/C16H22N2O2/c1-2-10-3-4-11(7-10)15-17-9-13-8-12(16(19)20)5-6-14(13)18-15/h9-12H,2-8H2,1H3,(H,19,20)
InChIKeyZJGZCXYJTGPUEI-UHFFFAOYSA-N
XLogP2.96
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-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 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423623) is 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is CCC1CCC(c2ncc3c(n2)CCC(C(=O)O)C3)C1.
What is the InChIKey of 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is ZJGZCXYJTGPUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-10-3-4-11(7-10)15-17-9-13-8-12(16(19)20)5-6-14(13)18-15/h9-12H,2-8H2,1H3,(H,19,20).
What are the key properties of 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).