2-(3-methylsulfanylanilino)-3H-quinazolin-4-one

C15H13N3OS — CID 136779337

IUPAC2-(3-methylsulfanylanilino)-3H-quinazolin-4-one
SMILESCSc1cccc(Nc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C15H13N3OS/c1-20-11-6-4-5-10(9-11)16-15-17-13-8-3-2-7-12(13)14(19)18-15/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyLEAZJPIUYKIWMI-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.39
Rot. Bonds3

About 2-(3-methylsulfanylanilino)-3H-quinazolin-4-one

2-(3-methylsulfanylanilino)-3H-quinazolin-4-one (PubChem CID 136779337) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(3-methylsulfanylanilino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-methylsulfanylanilino)-3H-quinazolin-4-one
PubChem CID136779337
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-(3-methylsulfanylanilino)-3H-quinazolin-4-one
SMILESCSc1cccc(Nc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C15H13N3OS/c1-20-11-6-4-5-10(9-11)16-15-17-13-8-3-2-7-12(13)14(19)18-15/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyLEAZJPIUYKIWMI-UHFFFAOYSA-N
XLogP3.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylanilino)-3H-quinazolin-4-one
CID 135439663
3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 175916852
2-(3-chloro-4-methoxyanilino)-3H-quinazolin-4-one
CID 135713751
3-(3-methylsulfanylanilino)-4H-1,2,4-triazin-5-one
CID 136779338
N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide
CID 175916850
1-(4-oxo-3H-quinazolin-2-yl)-3-phenylthiourea
CID 136646624
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine
CID 106555444
5-chloro-4-(3-methylsulfanylanilino)-1H-pyrimidin-6-one
CID 136970486
[4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid
CID 155436367
2-[(6-bromo-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 155453165
N-butyl-2-(3-methylsulfanylanilino)quinoline-4-carboxamide
CID 15997804

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylanilino)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-methylsulfanylanilino)-3H-quinazolin-4-one (CID 136779337) is 2-(3-methylsulfanylanilino)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-methylsulfanylanilino)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-methylsulfanylanilino)-3H-quinazolin-4-one is CSc1cccc(Nc2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-(3-methylsulfanylanilino)-3H-quinazolin-4-one?
The InChIKey is LEAZJPIUYKIWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-20-11-6-4-5-10(9-11)16-15-17-13-8-3-2-7-12(13)14(19)18-15/h2-9H,1H3,(H2,16,17,18,19).
What are the key properties of 2-(3-methylsulfanylanilino)-3H-quinazolin-4-one?
2-(3-methylsulfanylanilino)-3H-quinazolin-4-one has a molecular weight of 283.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylanilino)-3H-quinazolin-4-one is sourced from PubChem (CID 136779337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).