4-methylquinazoline-6-carboxylic acid

C10H8N2O2 — CID 84661394

IUPAC4-methylquinazoline-6-carboxylic acid
SMILESCc1ncnc2ccc(C(=O)O)cc12
InChIInChI=1S/C10H8N2O2/c1-6-8-4-7(10(13)14)2-3-9(8)12-5-11-6/h2-5H,1H3,(H,13,14)
InChIKeyIKNCCWWXAMESNW-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.64
Rot. Bonds1

About 4-methylquinazoline-6-carboxylic acid

4-methylquinazoline-6-carboxylic acid (PubChem CID 84661394) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-methylquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name4-methylquinazoline-6-carboxylic acid
PubChem CID84661394
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-methylquinazoline-6-carboxylic acid
SMILESCc1ncnc2ccc(C(=O)O)cc12
InChIInChI=1S/C10H8N2O2/c1-6-8-4-7(10(13)14)2-3-9(8)12-5-11-6/h2-5H,1H3,(H,13,14)
InChIKeyIKNCCWWXAMESNW-UHFFFAOYSA-N
XLogP1.64
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methylquinazoline-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

Related Compounds

4-methylquinoline-6-carboxylic acid;hydrochloride
CID 71811102
(4-methylquinazolin-6-yl) acetate
CID 163492929
4,6-dimethylquinazoline;ethane
CID 91475450
4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid
CID 63263044
3-ethyl-2,4-dimethylquinoline-6-carboxylic acid
CID 50888886
4-methyl-3-(quinazolin-4-ylamino)benzoic acid
CID 110434771
benzene;4-methylquinazoline
CID 174274782
3-(4-methylphenyl)-2,1-benzoxazole-5-carboxylic acid
CID 17015159
4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid
CID 768486
3-fluoro-4-methylcinnoline-6-carboxylic acid
CID 150342725
4-amino-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 139269662
4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676

Frequently Asked Questions

What is the IUPAC name of 4-methylquinazoline-6-carboxylic acid?
The IUPAC name of 4-methylquinazoline-6-carboxylic acid (CID 84661394) is 4-methylquinazoline-6-carboxylic acid.
What is the SMILES notation for 4-methylquinazoline-6-carboxylic acid?
The canonical SMILES for 4-methylquinazoline-6-carboxylic acid is Cc1ncnc2ccc(C(=O)O)cc12.
What is the InChIKey of 4-methylquinazoline-6-carboxylic acid?
The InChIKey is IKNCCWWXAMESNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-6-8-4-7(10(13)14)2-3-9(8)12-5-11-6/h2-5H,1H3,(H,13,14).
What are the key properties of 4-methylquinazoline-6-carboxylic acid?
4-methylquinazoline-6-carboxylic acid has a molecular weight of 188.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylquinazoline-6-carboxylic acid is sourced from PubChem (CID 84661394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).