[3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite

C20H13FN4O2 — CID 121354207

IUPAC[3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite
SMILESO=C(Nc1cccc2ccc(-c3cccc(OF)c3)nc12)c1cnccn1
InChIInChI=1S/C20H13FN4O2/c21-27-15-5-1-4-14(11-15)16-8-7-13-3-2-6-17(19(13)24-16)25-20(26)18-12-22-9-10-23-18/h1-12H,(H,25,26)
InChIKeyBVEMGJAAKUNPRG-UHFFFAOYSA-N
MW360.35 g/mol
LogP4.21
Rot. Bonds4

About [3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite

[3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite (PubChem CID 121354207) has the molecular formula C20H13FN4O2 and a molecular weight of 360.35 g/mol. Its IUPAC name is [3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite.

Molecular Properties

Compound Name[3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite
PubChem CID121354207
Molecular FormulaC20H13FN4O2
Molecular Weight360.35 g/mol
Exact Mass360.10
IUPAC Name[3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite
SMILESO=C(Nc1cccc2ccc(-c3cccc(OF)c3)nc12)c1cnccn1
InChIInChI=1S/C20H13FN4O2/c21-27-15-5-1-4-14(11-15)16-8-7-13-3-2-6-17(19(13)24-16)25-20(26)18-12-22-9-10-23-18/h1-12H,(H,25,26)
InChIKeyBVEMGJAAKUNPRG-UHFFFAOYSA-N
XLogP4.21
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide
CID 44554952
N-quinolin-8-ylpyrazine-2-carboxamide
CID 139088852
N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide
CID 44553070
N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide
CID 58154508
4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide
CID 58154602
2-phenyl-N-pyrazin-2-ylquinoline-8-carboxamide
CID 44555104
N-(2-sulfanylphenyl)pyrazine-2-carboxamide
CID 136757506
3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide
CID 157127954
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 36539472
N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide
CID 175533892
N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 694797
6-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103186933

Frequently Asked Questions

What is the IUPAC name of [3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite?
The IUPAC name of [3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite (CID 121354207) is [3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite.
What is the SMILES notation for [3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite?
The canonical SMILES for [3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite is O=C(Nc1cccc2ccc(-c3cccc(OF)c3)nc12)c1cnccn1.
What is the InChIKey of [3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite?
The InChIKey is BVEMGJAAKUNPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O2/c21-27-15-5-1-4-14(11-15)16-8-7-13-3-2-6-17(19(13)24-16)25-20(26)18-12-22-9-10-23-18/h1-12H,(H,25,26).
What are the key properties of [3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite?
[3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite has a molecular weight of 360.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite is sourced from PubChem (CID 121354207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).