2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid

C13H14N2O2S — CID 752291

IUPAC2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid
SMILESCc1cc2nc(SCC(=O)O)nc(C)c2cc1C
InChIInChI=1S/C13H14N2O2S/c1-7-4-10-9(3)14-13(18-6-12(16)17)15-11(10)5-8(7)2/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyQIXHXAXUUMNWCA-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.73
Rot. Bonds3

About 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid

2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid (PubChem CID 752291) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid
PubChem CID752291
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid
SMILESCc1cc2nc(SCC(=O)O)nc(C)c2cc1C
InChIInChI=1S/C13H14N2O2S/c1-7-4-10-9(3)14-13(18-6-12(16)17)15-11(10)5-8(7)2/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyQIXHXAXUUMNWCA-UHFFFAOYSA-N
XLogP2.73
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic 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

GNF-Pf-1241
CID 2853458
3-(2-Methylquinazolin-4-yl)sulfanylpropanoic acid
CID 588806
(4,6,7-Trimethyl-quinazolin-2-ylsulfanyl)-acetic acid ethyl ester
CID 695284
Acetic acid, ((4-methyl-6-phenyl-2-pyrimidinyl)thio)-
CID 612222
3-(4,6,8-Trimethyl-quinazolin-2-ylsulfanyl)-propionitrile
CID 659065
[(4,6-Dimethyl-2-quinazolinyl)thio]acetic acid
CID 752288
2-(3,6,7-Trimethylquinolin-2-yl)sulfanylacetic acid
CID 860350
2-(Allylthio)-4,6,8-trimethylquinazoline
CID 1846950
Ethyl 3-[(4,6-dimethylquinazolin-2-yl)sulfanyl]propanoate
CID 4140223
Ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate
CID 916352
3-[(4,6-Dimethylquinazolin-2-yl)sulfanyl]propanenitrile
CID 1904626
(4-Trifluoromethyl-5,6-dihydro-benzo[h]quinazolin-2-ylsulfanyl)-acetic acid
CID 801644

Frequently Asked Questions

What is the IUPAC name of 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid (CID 752291) is 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid is Cc1cc2nc(SCC(=O)O)nc(C)c2cc1C.
What is the InChIKey of 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid?
The InChIKey is QIXHXAXUUMNWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-7-4-10-9(3)14-13(18-6-12(16)17)15-11(10)5-8(7)2/h4-5H,6H2,1-3H3,(H,16,17).
What are the key properties of 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid?
2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid has a molecular weight of 262.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6,7-trimethylquinazolin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 752291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).