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

C13H16N2O2 — CID 81423485

IUPAC2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESO=C(O)C1CCc2nc(CC3CC3)ncc2C1
InChIInChI=1S/C13H16N2O2/c16-13(17)9-3-4-11-10(6-9)7-14-12(15-11)5-8-1-2-8/h7-9H,1-6H2,(H,16,17)
InChIKeyXYIBWQLEWVSCBD-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.62
Rot. Bonds3

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

2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423485) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423485
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESO=C(O)C1CCc2nc(CC3CC3)ncc2C1
InChIInChI=1S/C13H16N2O2/c16-13(17)9-3-4-11-10(6-9)7-14-12(15-11)5-8-1-2-8/h7-9H,1-6H2,(H,16,17)
InChIKeyXYIBWQLEWVSCBD-UHFFFAOYSA-N
XLogP1.62
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423485) is 2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is O=C(O)C1CCc2nc(CC3CC3)ncc2C1.
What is the InChIKey of 2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is XYIBWQLEWVSCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(17)9-3-4-11-10(6-9)7-14-12(15-11)5-8-1-2-8/h7-9H,1-6H2,(H,16,17).
What are the key properties of 2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).