2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one

C15H11FN2OS — CID 135808810

IUPAC2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CSc2ccccc2F)nc2ccccc12
InChIInChI=1S/C15H11FN2OS/c16-11-6-2-4-8-13(11)20-9-14-17-12-7-3-1-5-10(12)15(19)18-14/h1-8H,9H2,(H,17,18,19)
InChIKeyHYIARCXTDZXDSP-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.35
Rot. Bonds3

About 2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one

2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one (PubChem CID 135808810) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one
PubChem CID135808810
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CSc2ccccc2F)nc2ccccc12
InChIInChI=1S/C15H11FN2OS/c16-11-6-2-4-8-13(11)20-9-14-17-12-7-3-1-5-10(12)15(19)18-14/h1-8H,9H2,(H,17,18,19)
InChIKeyHYIARCXTDZXDSP-UHFFFAOYSA-N
XLogP3.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 66284562
N-benzyl-3-(2-fluorophenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135857690
2-[[4-(aminomethyl)phenyl]sulfanylmethyl]-3H-quinazolin-4-one
CID 136713863
4-[(4-oxo-3H-quinazolin-2-yl)methylsulfanyl]benzaldehyde
CID 136713861
6-chloro-2-[(2,5-difluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135713984
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135467192
2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135467291
2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941208
2-[(4-chlorophenyl)methylsulfanylmethyl]-3H-quinazolin-4-one
CID 135729485
2-[(4-oxo-3H-quinazolin-2-yl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 135519433
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135467361
2-[(2-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 16571571

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one (CID 135808810) is 2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one is O=c1[nH]c(CSc2ccccc2F)nc2ccccc12.
What is the InChIKey of 2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one?
The InChIKey is HYIARCXTDZXDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-11-6-2-4-8-13(11)20-9-14-17-12-7-3-1-5-10(12)15(19)18-14/h1-8H,9H2,(H,17,18,19).
What are the key properties of 2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one?
2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one has a molecular weight of 286.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135808810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).