quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone

C16H16N2OS — CID 171942180

IUPACquinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cnc2ccccc2n1)C1CC2CCC(C1)S2
InChIInChI=1S/C16H16N2OS/c19-16(10-7-11-5-6-12(8-10)20-11)15-9-17-13-3-1-2-4-14(13)18-15/h1-4,9-12H,5-8H2
InChIKeyFNGVTYJERBGOGP-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.49
Rot. Bonds2

About quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone

quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171942180) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Namequinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171942180
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Namequinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cnc2ccccc2n1)C1CC2CCC(C1)S2
InChIInChI=1S/C16H16N2OS/c19-16(10-7-11-5-6-12(8-10)20-11)15-9-17-13-3-1-2-4-14(13)18-15/h1-4,9-12H,5-8H2
InChIKeyFNGVTYJERBGOGP-UHFFFAOYSA-N
XLogP3.49
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone
CID 171942184
quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171941860
N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
1-cyclopropyl-2-quinoxalin-2-ylethanone
CID 63355169
(4-methylpyrimidin-2-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171950608
(5-methoxy-2-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943486
quinoxalin-2-yl quinoxaline-2-carboxylate
CID 177101519
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
cyclohepten-1-yl(quinoxalin-2-yl)methanone
CID 107356849
5-(8-thiabicyclo[3.2.1]octane-3-carbonyl)pyrimidine-2-carbonitrile
CID 171943377
(2-phenylphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171943252
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 79029003

Frequently Asked Questions

What is the IUPAC name of quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone (CID 171942180) is quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1cnc2ccccc2n1)C1CC2CCC(C1)S2.
What is the InChIKey of quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is FNGVTYJERBGOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-16(10-7-11-5-6-12(8-10)20-11)15-9-17-13-3-1-2-4-14(13)18-15/h1-4,9-12H,5-8H2.
What are the key properties of quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 284.38 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-2-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171942180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).