3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one

C22H24N2O3S — CID 7988426

IUPAC3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one
SMILESCOc1ccc(OCCSc2nc3ccccc3c(=O)n2C2CCCC2)cc1
InChIInChI=1S/C22H24N2O3S/c1-26-17-10-12-18(13-11-17)27-14-15-28-22-23-20-9-5-4-8-19(20)21(25)24(22)16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3
InChIKeyCWECSDUQQMPGDZ-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.69
Rot. Bonds7

About 3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one

3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one (PubChem CID 7988426) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one
PubChem CID7988426
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one
SMILESCOc1ccc(OCCSc2nc3ccccc3c(=O)n2C2CCCC2)cc1
InChIInChI=1S/C22H24N2O3S/c1-26-17-10-12-18(13-11-17)27-14-15-28-22-23-20-9-5-4-8-19(20)21(25)24(22)16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3
InChIKeyCWECSDUQQMPGDZ-UHFFFAOYSA-N
XLogP4.69
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylethoxy]benzonitrile
CID 41380345
3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 16578648
3-cyclopropyl-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]quinazolin-4-one
CID 8979700
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7868999
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 3483877
3-cyclohexyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one
CID 1155402
2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one
CID 3967996
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-cyclopentyl-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 18130615
3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one
CID 2082259
6-[(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55479417

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one (CID 7988426) is 3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one is COc1ccc(OCCSc2nc3ccccc3c(=O)n2C2CCCC2)cc1.
What is the InChIKey of 3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one?
The InChIKey is CWECSDUQQMPGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-26-17-10-12-18(13-11-17)27-14-15-28-22-23-20-9-5-4-8-19(20)21(25)24(22)16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3.
What are the key properties of 3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one?
3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one has a molecular weight of 396.51 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 7988426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).