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

C13H16N2O2 — CID 81423211

IUPAC2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCC1CC1c1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C13H16N2O2/c1-7-4-10(7)12-14-6-9-5-8(13(16)17)2-3-11(9)15-12/h6-8,10H,2-5H2,1H3,(H,16,17)
InChIKeyRPORYUIVORTBQV-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.79
Rot. Bonds2

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

2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423211) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423211
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCC1CC1c1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C13H16N2O2/c1-7-4-10(7)12-14-6-9-5-8(13(16)17)2-3-11(9)15-12/h6-8,10H,2-5H2,1H3,(H,16,17)
InChIKeyRPORYUIVORTBQV-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423211) is 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is CC1CC1c1ncc2c(n1)CCC(C(=O)O)C2.
What is the InChIKey of 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is RPORYUIVORTBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-7-4-10(7)12-14-6-9-5-8(13(16)17)2-3-11(9)15-12/h6-8,10H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).