2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C13H16N2O2 — CID 81423628

IUPAC2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCC1(c2ncc3c(n2)CCC(C(=O)O)C3)CC1
InChIInChI=1S/C13H16N2O2/c1-13(4-5-13)12-14-7-9-6-8(11(16)17)2-3-10(9)15-12/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyLGKLZKZCNASHIJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.72
Rot. Bonds2

About 2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423628) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423628
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCC1(c2ncc3c(n2)CCC(C(=O)O)C3)CC1
InChIInChI=1S/C13H16N2O2/c1-13(4-5-13)12-14-7-9-6-8(11(16)17)2-3-10(9)15-12/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyLGKLZKZCNASHIJ-UHFFFAOYSA-N
XLogP1.72
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423628) is 2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is CC1(c2ncc3c(n2)CCC(C(=O)O)C3)CC1.
What is the InChIKey of 2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is LGKLZKZCNASHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(4-5-13)12-14-7-9-6-8(11(16)17)2-3-10(9)15-12/h7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).