6-amino-2-propylsulfanyl-3H-quinazolin-4-one

C11H13N3OS — CID 136809622

IUPAC6-amino-2-propylsulfanyl-3H-quinazolin-4-one
SMILESCCCSc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C11H13N3OS/c1-2-5-16-11-13-9-4-3-7(12)6-8(9)10(15)14-11/h3-4,6H,2,5,12H2,1H3,(H,13,14,15)
InChIKeyXGTWDRDGQKRKFG-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.01
Rot. Bonds3

About 6-amino-2-propylsulfanyl-3H-quinazolin-4-one

6-amino-2-propylsulfanyl-3H-quinazolin-4-one (PubChem CID 136809622) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 6-amino-2-propylsulfanyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-propylsulfanyl-3H-quinazolin-4-one
PubChem CID136809622
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name6-amino-2-propylsulfanyl-3H-quinazolin-4-one
SMILESCCCSc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C11H13N3OS/c1-2-5-16-11-13-9-4-3-7(12)6-8(9)10(15)14-11/h3-4,6H,2,5,12H2,1H3,(H,13,14,15)
InChIKeyXGTWDRDGQKRKFG-UHFFFAOYSA-N
XLogP2.01
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-2-propylsulfanyl-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

6-amino-2-methylsulfanyl-3H-quinazolin-4-one
CID 136809642
tert-butyl 2-[(6-amino-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetate
CID 136809690
6-amino-2-(4-chlorophenyl)sulfanyl-3H-quinazolin-4-one
CID 136809598
6-amino-2-(3-methylphenyl)sulfanyl-3H-quinazolin-4-one
CID 136809643
6-amino-2-(4-methylpyrimidin-2-yl)sulfanyl-3H-quinazolin-4-one
CID 136809651
6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one
CID 136808665
6-amino-2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136809328
2-hexylsulfanyl-3H-quinazolin-4-one
CID 135492059
6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46863185
2-heptylsulfanyl-3H-quinazolin-4-one
CID 135464963
6-amino-2-[methyl(2-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136809047
6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one
CID 136808661

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-propylsulfanyl-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-propylsulfanyl-3H-quinazolin-4-one (CID 136809622) is 6-amino-2-propylsulfanyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-propylsulfanyl-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-propylsulfanyl-3H-quinazolin-4-one is CCCSc1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-propylsulfanyl-3H-quinazolin-4-one?
The InChIKey is XGTWDRDGQKRKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-5-16-11-13-9-4-3-7(12)6-8(9)10(15)14-11/h3-4,6H,2,5,12H2,1H3,(H,13,14,15).
What are the key properties of 6-amino-2-propylsulfanyl-3H-quinazolin-4-one?
6-amino-2-propylsulfanyl-3H-quinazolin-4-one has a molecular weight of 235.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-propylsulfanyl-3H-quinazolin-4-one is sourced from PubChem (CID 136809622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).