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

C15H20N2O2 — CID 81423213

IUPAC2-(3-methylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCC1CCC(c2ncc3c(n2)CCC(C(=O)O)C3)C1
InChIInChI=1S/C15H20N2O2/c1-9-2-3-10(6-9)14-16-8-12-7-11(15(18)19)4-5-13(12)17-14/h8-11H,2-7H2,1H3,(H,18,19)
InChIKeyZZZVQUAQNKCHLJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.57
Rot. Bonds2

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

2-(3-methylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423213) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(3-methylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423213
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(3-methylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCC1CCC(c2ncc3c(n2)CCC(C(=O)O)C3)C1
InChIInChI=1S/C15H20N2O2/c1-9-2-3-10(6-9)14-16-8-12-7-11(15(18)19)4-5-13(12)17-14/h8-11H,2-7H2,1H3,(H,18,19)
InChIKeyZZZVQUAQNKCHLJ-UHFFFAOYSA-N
XLogP2.57
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-(3-methylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423213) is 2-(3-methylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-(3-methylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-(3-methylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is CC1CCC(c2ncc3c(n2)CCC(C(=O)O)C3)C1.
What is the InChIKey of 2-(3-methylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is ZZZVQUAQNKCHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9-2-3-10(6-9)14-16-8-12-7-11(15(18)19)4-5-13(12)17-14/h8-11H,2-7H2,1H3,(H,18,19).
What are the key properties of 2-(3-methylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-(3-methylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclopentyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).