1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone

C16H10FN5OS — CID 5312029

IUPAC1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone
SMILESO=C(CSc1nc2ccccc2c2nnnn12)c1ccc(F)cc1
InChIInChI=1S/C16H10FN5OS/c17-11-7-5-10(6-8-11)14(23)9-24-16-18-13-4-2-1-3-12(13)15-19-20-21-22(15)16/h1-8H,9H2
InChIKeyYUOMDCRSTMKYJE-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.79
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone

1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone (PubChem CID 5312029) has the molecular formula C16H10FN5OS and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone
PubChem CID5312029
Molecular FormulaC16H10FN5OS
Molecular Weight339.36 g/mol
Exact Mass339.06
IUPAC Name1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone
SMILESO=C(CSc1nc2ccccc2c2nnnn12)c1ccc(F)cc1
InChIInChI=1S/C16H10FN5OS/c17-11-7-5-10(6-8-11)14(23)9-24-16-18-13-4-2-1-3-12(13)15-19-20-21-22(15)16/h1-8H,9H2
InChIKeyYUOMDCRSTMKYJE-UHFFFAOYSA-N
XLogP2.79
TPSA73.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one
CID 7465822
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one
CID 3149137
3-(3,4-dichlorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2809763
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(4-propan-2-ylphenyl)quinazolin-4-one
CID 2360521
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one
CID 2700658
2-[(2-benzyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-bromophenyl)ethanone
CID 4068977
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
CID 2595063
N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide
CID 2202336
3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 8675671
2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 4037222
1-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylethanone
CID 3212925
3-(2,4-difluorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylquinazolin-4-one
CID 2414993

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone (CID 5312029) is 1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone is O=C(CSc1nc2ccccc2c2nnnn12)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone?
The InChIKey is YUOMDCRSTMKYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5OS/c17-11-7-5-10(6-8-11)14(23)9-24-16-18-13-4-2-1-3-12(13)15-19-20-21-22(15)16/h1-8H,9H2.
What are the key properties of 1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone?
1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone has a molecular weight of 339.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(tetrazolo[1,5-c]quinazolin-5-ylsulfanyl)ethanone is sourced from PubChem (CID 5312029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).