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

C20H19FN2OS — CID 1309509

IUPAC3-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2cccc(F)c2)n1C1CCCC1
InChIInChI=1S/C20H19FN2OS/c21-15-7-5-6-14(12-15)13-25-20-22-18-11-4-3-10-17(18)19(24)23(20)16-8-1-2-9-16/h3-7,10-12,16H,1-2,8-9,13H2
InChIKeyHUGTWPMDFNBXSC-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.94
Rot. Bonds4

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

3-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one (PubChem CID 1309509) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one
PubChem CID1309509
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC Name3-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2cccc(F)c2)n1C1CCCC1
InChIInChI=1S/C20H19FN2OS/c21-15-7-5-6-14(12-15)13-25-20-22-18-11-4-3-10-17(18)19(24)23(20)16-8-1-2-9-16/h3-7,10-12,16H,1-2,8-9,13H2
InChIKeyHUGTWPMDFNBXSC-UHFFFAOYSA-N
XLogP4.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one
CID 25229546
4(3H)-Quinazolinone, 3-(phenylmethyl)-
CID 616746
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
Bis-quinazolinone 5
CID 145996538
Ethyl 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 2959700
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
3-(2-fluorophenyl)quinazolin-4(3H)-one
CID 613587
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
3-Methyl-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020007
3-Methyl-2-[(3-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020009

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one (CID 1309509) is 3-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one is O=c1c2ccccc2nc(SCc2cccc(F)c2)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one?
The InChIKey is HUGTWPMDFNBXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c21-15-7-5-6-14(12-15)13-25-20-22-18-11-4-3-10-17(18)19(24)23(20)16-8-1-2-9-16/h3-7,10-12,16H,1-2,8-9,13H2.
What are the key properties of 3-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one?
3-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one has a molecular weight of 354.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 1309509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).