2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one

C15H18F2N2OS — CID 166307254

IUPAC2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1(CSc2ncc3c(n2)CCCC3=O)CCCC1(F)F
InChIInChI=1S/C15H18F2N2OS/c1-14(6-3-7-15(14,16)17)9-21-13-18-8-10-11(19-13)4-2-5-12(10)20/h8H,2-7,9H2,1H3
InChIKeyBSJJXJLQVYXVHL-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.91
Rot. Bonds3

About 2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one

2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 166307254) has the molecular formula C15H18F2N2OS and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID166307254
Molecular FormulaC15H18F2N2OS
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1(CSc2ncc3c(n2)CCCC3=O)CCCC1(F)F
InChIInChI=1S/C15H18F2N2OS/c1-14(6-3-7-15(14,16)17)9-21-13-18-8-10-11(19-13)4-2-5-12(10)20/h8H,2-7,9H2,1H3
InChIKeyBSJJXJLQVYXVHL-UHFFFAOYSA-N
XLogP3.91
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

2-Amino-5,6,7,8-tetrahydroquinazolin-5-one
CID 5200220
2-(Cyclopentylamino)-7,7-dimethyl-6,7,8-trihydroquinazolin-5-one
CID 899236
2-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 2772366
2-Oxo-2-[(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl diethylcarbamodithioate
CID 3896874
Potassium (5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanide
CID 126809413
2-(Methylthio)-7,8-dihydroquinazolin-5(6H)-one
CID 13792523
7,8-Dihydroquinazolin-5(6H)-one
CID 21859127
2-Methanesulfinyl-5,6,7,8-tetrahydroquinazolin-5-one
CID 145998285
7,8-Dihydro-7,7-dimethyl-2-(1-pyrrolidinyl)-5(6H)-quinazolinone
CID 12034393
7,7-Dimethyl-5,6,7,8-tetrahydroquinazolin-5-one
CID 11355804
6-Dimethylaminomethylen-5-oxo-5,6,7,8-tetrahydroquinazoline
CID 129784970
2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
CID 3701026

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one (CID 166307254) is 2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one is CC1(CSc2ncc3c(n2)CCCC3=O)CCCC1(F)F.
What is the InChIKey of 2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is BSJJXJLQVYXVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2OS/c1-14(6-3-7-15(14,16)17)9-21-13-18-8-10-11(19-13)4-2-5-12(10)20/h8H,2-7,9H2,1H3.
What are the key properties of 2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one?
2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 312.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-1-methylcyclopentyl)methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 166307254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).