4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C10H12N2O2 — CID 81424108

IUPAC4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCc1ncnc2c1CC(C(=O)O)CC2
InChIInChI=1S/C10H12N2O2/c1-6-8-4-7(10(13)14)2-3-9(8)12-5-11-6/h5,7H,2-4H2,1H3,(H,13,14)
InChIKeyGZQCRLWJVUVNPE-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.97
Rot. Bonds1

About 4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81424108) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81424108
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCc1ncnc2c1CC(C(=O)O)CC2
InChIInChI=1S/C10H12N2O2/c1-6-8-4-7(10(13)14)2-3-9(8)12-5-11-6/h5,7H,2-4H2,1H3,(H,13,14)
InChIKeyGZQCRLWJVUVNPE-UHFFFAOYSA-N
XLogP0.97
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81424108) is 4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is Cc1ncnc2c1CC(C(=O)O)CC2.
What is the InChIKey of 4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is GZQCRLWJVUVNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6-8-4-7(10(13)14)2-3-9(8)12-5-11-6/h5,7H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81424108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).