2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C11H16N2OS — CID 135594968

IUPAC2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCCSc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C11H16N2OS/c1-2-7-15-11-12-9-6-4-3-5-8(9)10(14)13-11/h2-7H2,1H3,(H,12,13,14)
InChIKeyQLMUHQMRJZXVBW-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.15
Rot. Bonds3

About 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135594968) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135594968
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCCSc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C11H16N2OS/c1-2-7-15-11-12-9-6-4-3-5-8(9)10(14)13-11/h2-7H2,1H3,(H,12,13,14)
InChIKeyQLMUHQMRJZXVBW-UHFFFAOYSA-N
XLogP2.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-propylsulfanyl-5,6,7,8-tetrahydro-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

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135594968) is 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CCCSc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is QLMUHQMRJZXVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-7-15-11-12-9-6-4-3-5-8(9)10(14)13-11/h2-7H2,1H3,(H,12,13,14).
What are the key properties of 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 224.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135594968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).