2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid

C23H18N2O2S — CID 132587435

IUPAC2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid
SMILESCc1ccc2nc(SC(C(=O)O)c3ccccc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C23H18N2O2S/c1-15-12-13-19-18(14-15)20(16-8-4-2-5-9-16)25-23(24-19)28-21(22(26)27)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,26,27)
InChIKeyFSZWQZQZEBKTAC-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.52
Rot. Bonds5

About 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid

2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid (PubChem CID 132587435) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid.

Molecular Properties

Compound Name2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid
PubChem CID132587435
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Name2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid
SMILESCc1ccc2nc(SC(C(=O)O)c3ccccc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C23H18N2O2S/c1-15-12-13-19-18(14-15)20(16-8-4-2-5-9-16)25-23(24-19)28-21(22(26)27)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,26,27)
InChIKeyFSZWQZQZEBKTAC-UHFFFAOYSA-N
XLogP5.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic 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-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid?
The IUPAC name of 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid (CID 132587435) is 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid.
What is the SMILES notation for 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid?
The canonical SMILES for 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid is Cc1ccc2nc(SC(C(=O)O)c3ccccc3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid?
The InChIKey is FSZWQZQZEBKTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2S/c1-15-12-13-19-18(14-15)20(16-8-4-2-5-9-16)25-23(24-19)28-21(22(26)27)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,26,27).
What are the key properties of 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid?
2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid has a molecular weight of 386.48 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-phenylquinazolin-2-yl)sulfanyl-2-phenylacetic acid is sourced from PubChem (CID 132587435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).