2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one

C15H17BrN2OS — CID 52727602

IUPAC2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one
SMILESC=C(Br)CSc1nc2ccccc2c(=O)n1CCCC
InChIInChI=1S/C15H17BrN2OS/c1-3-4-9-18-14(19)12-7-5-6-8-13(12)17-15(18)20-10-11(2)16/h5-8H,2-4,9-10H2,1H3
InChIKeyCORCKXXRCSVNBY-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.20
Rot. Bonds6

About 2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one

2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one (PubChem CID 52727602) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one
PubChem CID52727602
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one
SMILESC=C(Br)CSc1nc2ccccc2c(=O)n1CCCC
InChIInChI=1S/C15H17BrN2OS/c1-3-4-9-18-14(19)12-7-5-6-8-13(12)17-15(18)20-10-11(2)16/h5-8H,2-4,9-10H2,1H3
InChIKeyCORCKXXRCSVNBY-UHFFFAOYSA-N
XLogP4.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-butyl-2-(4-hydroxybutylsulfanyl)quinazolin-4-one
CID 110931344
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
CID 2691088
2-butylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 78815225
3-(3-hydroxypropyl)-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 47095161
N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide
CID 7856771
3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one
CID 7856825
N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7856748
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 2696216
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 7455033
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 7454990
3-butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 4812097

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one?
The IUPAC name of 2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one (CID 52727602) is 2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one.
What is the SMILES notation for 2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one?
The canonical SMILES for 2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one is C=C(Br)CSc1nc2ccccc2c(=O)n1CCCC.
What is the InChIKey of 2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one?
The InChIKey is CORCKXXRCSVNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-3-4-9-18-14(19)12-7-5-6-8-13(12)17-15(18)20-10-11(2)16/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one?
2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one has a molecular weight of 353.29 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one is sourced from PubChem (CID 52727602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).