3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one

C21H22N2O2S — CID 16578648

IUPAC3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
SMILESCOc1ccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1
InChIInChI=1S/C21H22N2O2S/c1-25-17-12-10-15(11-13-17)14-26-21-22-19-9-5-4-8-18(19)20(24)23(21)16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7,14H2,1H3
InChIKeyUUTMVIQGZQMDDQ-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.81
Rot. Bonds5

About 3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one

3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one (PubChem CID 16578648) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
PubChem CID16578648
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
SMILESCOc1ccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1
InChIInChI=1S/C21H22N2O2S/c1-25-17-12-10-15(11-13-17)14-26-21-22-19-9-5-4-8-18(19)20(24)23(21)16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7,14H2,1H3
InChIKeyUUTMVIQGZQMDDQ-UHFFFAOYSA-N
XLogP4.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one
CID 7988426
4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide
CID 27350175
3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 9381572
3-cyclopentyl-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 18130615
3-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylsulfanyl]quinazolin-4-one
CID 7253272
3-cyclohexyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 38921957
methyl 3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 18122399
3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-N,N-dimethylbenzenesulfonamide
CID 30030067
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-cyclohexylquinazolin-4-one
CID 4596643
3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 55997776
6-[(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55479417
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one (CID 16578648) is 3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one is COc1ccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1.
What is the InChIKey of 3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
The InChIKey is UUTMVIQGZQMDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-25-17-12-10-15(11-13-17)14-26-21-22-19-9-5-4-8-18(19)20(24)23(21)16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7,14H2,1H3.
What are the key properties of 3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one?
3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one has a molecular weight of 366.49 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 16578648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).