2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one

C21H16N2O2S — CID 168553348

IUPAC2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one
SMILESCOc1cccc(Sc2ccccc2-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C21H16N2O2S/c1-25-14-7-6-8-15(13-14)26-19-12-5-3-10-17(19)20-22-18-11-4-2-9-16(18)21(24)23-20/h2-13H,1H3,(H,22,23,24)
InChIKeyPMLJHLBAFYAATG-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.75
Rot. Bonds4

About 2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one

2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one (PubChem CID 168553348) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one
PubChem CID168553348
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one
SMILESCOc1cccc(Sc2ccccc2-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C21H16N2O2S/c1-25-14-7-6-8-15(13-14)26-19-12-5-3-10-17(19)20-22-18-11-4-2-9-16(18)21(24)23-20/h2-13H,1H3,(H,22,23,24)
InChIKeyPMLJHLBAFYAATG-UHFFFAOYSA-N
XLogP4.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one 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

2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
CID 168551424
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873
2-[2-(benzenesulfonyl)-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551606
2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551472
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168550809
2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one
CID 168551471
2-[4-(3-methoxyphenyl)sulfanylphenyl]-1H-benzimidazole
CID 68837833
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-methoxybenzoate
CID 135582870

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one (CID 168553348) is 2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one is COc1cccc(Sc2ccccc2-c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one?
The InChIKey is PMLJHLBAFYAATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c1-25-14-7-6-8-15(13-14)26-19-12-5-3-10-17(19)20-22-18-11-4-2-9-16(18)21(24)23-20/h2-13H,1H3,(H,22,23,24).
What are the key properties of 2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one?
2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one has a molecular weight of 360.44 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168553348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).