1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile

C15H19N3 — CID 117007237

IUPAC1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)NCCN2C1CCCCC1
InChIInChI=1S/C15H19N3/c16-11-12-6-7-15-14(10-12)17-8-9-18(15)13-4-2-1-3-5-13/h6-7,10,13,17H,1-5,8-9H2
InChIKeyQBCJNULQNFWMSX-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.12
Rot. Bonds1

About 1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile

1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile (PubChem CID 117007237) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
PubChem CID117007237
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)NCCN2C1CCCCC1
InChIInChI=1S/C15H19N3/c16-11-12-6-7-15-14(10-12)17-8-9-18(15)13-4-2-1-3-5-13/h6-7,10,13,17H,1-5,8-9H2
InChIKeyQBCJNULQNFWMSX-UHFFFAOYSA-N
XLogP3.12
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
CID 117031626
4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 105470427
4-cyclopentyl-2,3-dihydro-1H-quinoxaline
CID 71683750
6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 117006433
1-(2-sulfanylethyl)-3,4-dihydro-2H-quinoxaline-6-carbonitrile
CID 117031652
4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117007047
4-(3-methoxycyclobutyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
CID 135388689
1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-8-carbonitrile
CID 162434267
1-(2-oxopropyl)-3,4-dihydro-2H-quinoxaline-6-carbonitrile
CID 117031662
4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one
CID 117031145
1-cyclopropyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 115502363
4-(2-ethylazepan-1-yl)-3-fluorobenzonitrile
CID 104689833

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile?
The IUPAC name of 1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile (CID 117007237) is 1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile?
The canonical SMILES for 1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile is N#Cc1ccc2c(c1)NCCN2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile?
The InChIKey is QBCJNULQNFWMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-11-12-6-7-15-14(10-12)17-8-9-18(15)13-4-2-1-3-5-13/h6-7,10,13,17H,1-5,8-9H2.
What are the key properties of 1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile?
1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile has a molecular weight of 241.34 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 117007237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).