4-phenyl-4-quinoxalin-6-ylbutanenitrile

C18H15N3 — CID 140665023

IUPAC4-phenyl-4-quinoxalin-6-ylbutanenitrile
SMILESN#CCCC(c1ccccc1)c1ccc2nccnc2c1
InChIInChI=1S/C18H15N3/c19-10-4-7-16(14-5-2-1-3-6-14)15-8-9-17-18(13-15)21-12-11-20-17/h1-3,5-6,8-9,11-13,16H,4,7H2
InChIKeyGLBHSVMTUWXELE-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.07
Rot. Bonds4

About 4-phenyl-4-quinoxalin-6-ylbutanenitrile

4-phenyl-4-quinoxalin-6-ylbutanenitrile (PubChem CID 140665023) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-phenyl-4-quinoxalin-6-ylbutanenitrile.

Molecular Properties

Compound Name4-phenyl-4-quinoxalin-6-ylbutanenitrile
PubChem CID140665023
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name4-phenyl-4-quinoxalin-6-ylbutanenitrile
SMILESN#CCCC(c1ccccc1)c1ccc2nccnc2c1
InChIInChI=1S/C18H15N3/c19-10-4-7-16(14-5-2-1-3-6-14)15-8-9-17-18(13-15)21-12-11-20-17/h1-3,5-6,8-9,11-13,16H,4,7H2
InChIKeyGLBHSVMTUWXELE-UHFFFAOYSA-N
XLogP4.07
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile
CID 11833125
(3R)-3-amino-3-quinoxalin-6-ylpropanenitrile
CID 55276938
4-(2H-indazol-3-yl)-4-phenylbutanenitrile
CID 123384854
6-phenyl-6-pyridin-2-ylhexanenitrile
CID 138977587
4-iodo-4-phenylbutanenitrile
CID 57240454
4-(1,5-naphthyridin-3-yl)butanenitrile
CID 18784709
4-(dimethylamino)-4-phenylbutanenitrile
CID 116910022
2-quinoxalin-6-ylpropane-1-thiol
CID 170117994
2-hydroxy-2-quinoxalin-6-ylacetic acid
CID 117292355
3-phenyl-3-pyridin-2-ylpropanenitrile
CID 10465646
3-(1H-indol-5-yl)-N-methyl-3-quinoxalin-6-ylpropan-1-amine
CID 59831857
phenol;quinoxaline;hydrate
CID 174252210

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-quinoxalin-6-ylbutanenitrile?
The IUPAC name of 4-phenyl-4-quinoxalin-6-ylbutanenitrile (CID 140665023) is 4-phenyl-4-quinoxalin-6-ylbutanenitrile.
What is the SMILES notation for 4-phenyl-4-quinoxalin-6-ylbutanenitrile?
The canonical SMILES for 4-phenyl-4-quinoxalin-6-ylbutanenitrile is N#CCCC(c1ccccc1)c1ccc2nccnc2c1.
What is the InChIKey of 4-phenyl-4-quinoxalin-6-ylbutanenitrile?
The InChIKey is GLBHSVMTUWXELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-10-4-7-16(14-5-2-1-3-6-14)15-8-9-17-18(13-15)21-12-11-20-17/h1-3,5-6,8-9,11-13,16H,4,7H2.
What are the key properties of 4-phenyl-4-quinoxalin-6-ylbutanenitrile?
4-phenyl-4-quinoxalin-6-ylbutanenitrile has a molecular weight of 273.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-quinoxalin-6-ylbutanenitrile is sourced from PubChem (CID 140665023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).