3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one

C18H18N2O2S2 — CID 7856825

IUPAC3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one
SMILESCCCCn1c(SCC(=O)c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C18H18N2O2S2/c1-2-3-10-20-17(22)13-7-4-5-8-14(13)19-18(20)24-12-15(21)16-9-6-11-23-16/h4-9,11H,2-3,10,12H2,1H3
InChIKeyIRMUWHSQXKMFKM-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.23
Rot. Bonds7

About 3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one

3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one (PubChem CID 7856825) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one
PubChem CID7856825
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one
SMILESCCCCn1c(SCC(=O)c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C18H18N2O2S2/c1-2-3-10-20-17(22)13-7-4-5-8-14(13)19-18(20)24-12-15(21)16-9-6-11-23-16/h4-9,11H,2-3,10,12H2,1H3
InChIKeyIRMUWHSQXKMFKM-UHFFFAOYSA-N
XLogP4.23
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 9329551
2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one
CID 52727602
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 18195313
N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7856748
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-3-butylquinazolin-4-one
CID 9329608
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
CID 2691088
N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide
CID 7856771
3-butyl-2-(4-hydroxybutylsulfanyl)quinazolin-4-one
CID 110931344
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 7455033
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 2696216
2-butylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 78815225

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one?
The IUPAC name of 3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one (CID 7856825) is 3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one is CCCCn1c(SCC(=O)c2cccs2)nc2ccccc2c1=O.
What is the InChIKey of 3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one?
The InChIKey is IRMUWHSQXKMFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-2-3-10-20-17(22)13-7-4-5-8-14(13)19-18(20)24-12-15(21)16-9-6-11-23-16/h4-9,11H,2-3,10,12H2,1H3.
What are the key properties of 3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one?
3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one has a molecular weight of 358.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one is sourced from PubChem (CID 7856825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).