3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one

C19H23N3O2S — CID 42930272

IUPAC3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one
SMILESO=C1NCCCCC1Sc1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C19H23N3O2S/c23-17-16(11-5-6-12-20-17)25-19-21-15-10-4-3-9-14(15)18(24)22(19)13-7-1-2-8-13/h3-4,9-10,13,16H,1-2,5-8,11-12H2,(H,20,23)
InChIKeyCTMSMXGIMMUVFY-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.27
Rot. Bonds3

About 3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one

3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one (PubChem CID 42930272) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one
PubChem CID42930272
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one
SMILESO=C1NCCCCC1Sc1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C19H23N3O2S/c23-17-16(11-5-6-12-20-17)25-19-21-15-10-4-3-9-14(15)18(24)22(19)13-7-1-2-8-13/h3-4,9-10,13,16H,1-2,5-8,11-12H2,(H,20,23)
InChIKeyCTMSMXGIMMUVFY-UHFFFAOYSA-N
XLogP3.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dimethylphenyl)-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one
CID 46683972
3-cyclopentyl-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 7988444
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
3-cyclohexyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 38921957
3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
CID 1155402
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1071921
4-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylethoxy]benzonitrile
CID 41380345
3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one
CID 7988426
3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[(1R)-2-oxocyclohexyl]sulfanylquinazolin-4-one
CID 11911208
3-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[(1R)-2-oxocyclohexyl]sulfanylquinazolin-4-one
CID 11911209
3-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 1213864
3-methyl-2-(2-oxoazepan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 42896925

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one (CID 42930272) is 3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one is O=C1NCCCCC1Sc1nc2ccccc2c(=O)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one?
The InChIKey is CTMSMXGIMMUVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-17-16(11-5-6-12-20-17)25-19-21-15-10-4-3-9-14(15)18(24)22(19)13-7-1-2-8-13/h3-4,9-10,13,16H,1-2,5-8,11-12H2,(H,20,23).
What are the key properties of 3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one?
3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one has a molecular weight of 357.48 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one is sourced from PubChem (CID 42930272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).