2-prop-2-enylsulfanyl-3H-quinazolin-4-one

C11H10N2OS — CID 135404691

IUPAC2-prop-2-enylsulfanyl-3H-quinazolin-4-one
SMILESC=CCSc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H10N2OS/c1-2-7-15-11-12-9-6-4-3-5-8(9)10(14)13-11/h2-6H,1,7H2,(H,12,13,14)
InChIKeyCGPOXFJAHRMCGV-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.20
Rot. Bonds3

About 2-prop-2-enylsulfanyl-3H-quinazolin-4-one

2-prop-2-enylsulfanyl-3H-quinazolin-4-one (PubChem CID 135404691) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-prop-2-enylsulfanyl-3H-quinazolin-4-one
PubChem CID135404691
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name2-prop-2-enylsulfanyl-3H-quinazolin-4-one
SMILESC=CCSc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H10N2OS/c1-2-7-15-11-12-9-6-4-3-5-8(9)10(14)13-11/h2-6H,1,7H2,(H,12,13,14)
InChIKeyCGPOXFJAHRMCGV-UHFFFAOYSA-N
XLogP2.20
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4(1H)-Quinazolinone
CID 135408753
2-Methyl-4(3H)-quinazolinone
CID 135400457
2-Amino-3,4-dihydroquinazolin-4-one
CID 135403814
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
3-Methyl-4(3H)-quinazolinone
CID 17088
5-Fluoroquinazolin-4-ol
CID 135495930
2-(Trifluoromethyl)-3,4-dihydroquinazolin-4-one
CID 135415531
3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one
CID 25229546
2,6-Diaminoquinazolin-4-ol
CID 135413405
2-(propylamino)-4(3H)-quinazolinone
CID 135439661
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
7-Fluoroquinazolin-4(3H)-one
CID 135398496

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanyl-3H-quinazolin-4-one?
The IUPAC name of 2-prop-2-enylsulfanyl-3H-quinazolin-4-one (CID 135404691) is 2-prop-2-enylsulfanyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-prop-2-enylsulfanyl-3H-quinazolin-4-one?
The canonical SMILES for 2-prop-2-enylsulfanyl-3H-quinazolin-4-one is C=CCSc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-prop-2-enylsulfanyl-3H-quinazolin-4-one?
The InChIKey is CGPOXFJAHRMCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-2-7-15-11-12-9-6-4-3-5-8(9)10(14)13-11/h2-6H,1,7H2,(H,12,13,14).
What are the key properties of 2-prop-2-enylsulfanyl-3H-quinazolin-4-one?
2-prop-2-enylsulfanyl-3H-quinazolin-4-one has a molecular weight of 218.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyl-3H-quinazolin-4-one is sourced from PubChem (CID 135404691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).