2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one

C21H22N2O2S — CID 60620109

IUPAC2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
SMILESCOc1ccc(Cn2c(SC3CCCC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H22N2O2S/c1-25-16-12-10-15(11-13-16)14-23-20(24)18-8-4-5-9-19(18)22-21(23)26-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3
InChIKeyBGKQCKFRQKJEFL-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.49
Rot. Bonds5

About 2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one

2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one (PubChem CID 60620109) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
PubChem CID60620109
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
SMILESCOc1ccc(Cn2c(SC3CCCC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H22N2O2S/c1-25-16-12-10-15(11-13-16)14-23-20(24)18-8-4-5-9-19(18)22-21(23)26-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3
InChIKeyBGKQCKFRQKJEFL-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)methyl]-2-(2-phenylethylsulfanyl)quinazolin-4-one
CID 51365408
2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 42983606
2-(2-ethoxyethylsulfanyl)-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 8634246
2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 51365422
3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 16578648
3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365410
2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one
CID 10086293
3-[(4-methoxyphenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 31057143
N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 8634205
3-[(4-methoxyphenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 55531041
3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one
CID 55324754
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 38872873

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one?
The IUPAC name of 2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one (CID 60620109) is 2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one is COc1ccc(Cn2c(SC3CCCC3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one?
The InChIKey is BGKQCKFRQKJEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-25-16-12-10-15(11-13-16)14-23-20(24)18-8-4-5-9-19(18)22-21(23)26-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one?
2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one has a molecular weight of 366.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 60620109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).