2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one

C15H20N2O2S — CID 110931345

IUPAC2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one
SMILESCCCn1c(SCCCCO)nc2ccccc2c1=O
InChIInChI=1S/C15H20N2O2S/c1-2-9-17-14(19)12-7-3-4-8-13(12)16-15(17)20-11-6-5-10-18/h3-4,7-8,18H,2,5-6,9-11H2,1H3
InChIKeyFNNUFJBHFYTGNO-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.67
Rot. Bonds7

About 2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one

2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one (PubChem CID 110931345) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one
PubChem CID110931345
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one
SMILESCCCn1c(SCCCCO)nc2ccccc2c1=O
InChIInChI=1S/C15H20N2O2S/c1-2-9-17-14(19)12-7-3-4-8-13(12)16-15(17)20-11-6-5-10-18/h3-4,7-8,18H,2,5-6,9-11H2,1H3
InChIKeyFNNUFJBHFYTGNO-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-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

3-butyl-2-(4-hydroxybutylsulfanyl)quinazolin-4-one
CID 110931344
2-butylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 78815225
3-(3-hydroxypropyl)-2-(2-pyrazol-1-ylethylsulfanyl)quinazolin-4-one
CID 110902275
1-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylethyl]pyrrolidine-2,5-dione
CID 35358841
3-(3-hydroxypropyl)-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 47095161
2-benzylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 4825111
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
CID 46925066
2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one
CID 52727602
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
CID 46925071
3-propyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one
CID 16583234
3-(3-hydroxypropyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 111462825

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one?
The IUPAC name of 2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one (CID 110931345) is 2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one.
What is the SMILES notation for 2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one?
The canonical SMILES for 2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one is CCCn1c(SCCCCO)nc2ccccc2c1=O.
What is the InChIKey of 2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one?
The InChIKey is FNNUFJBHFYTGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-9-17-14(19)12-7-3-4-8-13(12)16-15(17)20-11-6-5-10-18/h3-4,7-8,18H,2,5-6,9-11H2,1H3.
What are the key properties of 2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one?
2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one has a molecular weight of 292.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutylsulfanyl)-3-propylquinazolin-4-one is sourced from PubChem (CID 110931345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).