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

C12H16N2O3 — CID 81423489

IUPAC2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCOC(C)c1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C12H16N2O3/c1-7(17-2)11-13-6-9-5-8(12(15)16)3-4-10(9)14-11/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyATNOSMUEIGEZBW-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.37
Rot. Bonds3

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

2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423489) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423489
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCOC(C)c1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C12H16N2O3/c1-7(17-2)11-13-6-9-5-8(12(15)16)3-4-10(9)14-11/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyATNOSMUEIGEZBW-UHFFFAOYSA-N
XLogP1.37
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methoxyethyl)-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-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423489) is 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is COC(C)c1ncc2c(n1)CCC(C(=O)O)C2.
What is the InChIKey of 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is ATNOSMUEIGEZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(17-2)11-13-6-9-5-8(12(15)16)3-4-10(9)14-11/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).