2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile

C17H13N3 — CID 117059598

IUPAC2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile
SMILESCc1nc2ccccc2nc1C(C#N)c1ccccc1
InChIInChI=1S/C17H13N3/c1-12-17(14(11-18)13-7-3-2-4-8-13)20-16-10-6-5-9-15(16)19-12/h2-10,14H,1H3
InChIKeyBYIOIRCSGSXJSA-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.59
Rot. Bonds2

About 2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile

2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile (PubChem CID 117059598) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile
PubChem CID117059598
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile
SMILESCc1nc2ccccc2nc1C(C#N)c1ccccc1
InChIInChI=1S/C17H13N3/c1-12-17(14(11-18)13-7-3-2-4-8-13)20-16-10-6-5-9-15(16)19-12/h2-10,14H,1H3
InChIKeyBYIOIRCSGSXJSA-UHFFFAOYSA-N
XLogP3.59
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile
CID 623059
2-(3-chloro-7-methylquinoxalin-2-yl)-2-phenylacetonitrile
CID 170856776
2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile
CID 14023164
2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile
CID 18802151
2-(4-tert-butylphenyl)-2-phenylacetonitrile
CID 11414012
2-naphthalen-2-yl-2-phenylacetonitrile
CID 44719900
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile
CID 26793141
(2S)-2-(4-iodophenyl)-2-phenylacetonitrile
CID 97184112
2-(4-iodophenyl)-2-phenylacetonitrile
CID 71668972
2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile
CID 2764122
2-phenyl-2-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]acetonitrile
CID 22674450
(2R)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-phenylacetonitrile
CID 98000084

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile (CID 117059598) is 2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile is Cc1nc2ccccc2nc1C(C#N)c1ccccc1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile?
The InChIKey is BYIOIRCSGSXJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-12-17(14(11-18)13-7-3-2-4-8-13)20-16-10-6-5-9-15(16)19-12/h2-10,14H,1H3.
What are the key properties of 2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile?
2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile is sourced from PubChem (CID 117059598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).