4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile

C16H19N3O — CID 117007047

IUPAC4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(C1CCCCCC1)CC(=O)N2
InChIInChI=1S/C16H19N3O/c17-10-12-7-8-14-15(9-12)19(11-16(20)18-14)13-5-3-1-2-4-6-13/h7-9,13H,1-6,11H2,(H,18,20)
InChIKeyYQTLPOFOWJZCRN-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.04
Rot. Bonds1

About 4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile

4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile (PubChem CID 117007047) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
PubChem CID117007047
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(C1CCCCCC1)CC(=O)N2
InChIInChI=1S/C16H19N3O/c17-10-12-7-8-14-15(9-12)19(11-16(20)18-14)13-5-3-1-2-4-6-13/h7-9,13H,1-6,11H2,(H,18,20)
InChIKeyYQTLPOFOWJZCRN-UHFFFAOYSA-N
XLogP3.04
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one
CID 117006333
4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 104716038
1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
CID 117007237
4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117031335
4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one
CID 79291639
4-(3-aminopropyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117031319
1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
CID 117007213
4-(3-methoxypropyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117007038
1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117007200
4-[2-methyl-1-(methylamino)propan-2-yl]-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117031345
5-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxaline-9-carbonitrile
CID 104716080
2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile
CID 117031304

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
The IUPAC name of 4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile (CID 117007047) is 4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile.
What is the SMILES notation for 4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
The canonical SMILES for 4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile is N#Cc1ccc2c(c1)N(C1CCCCCC1)CC(=O)N2.
What is the InChIKey of 4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
The InChIKey is YQTLPOFOWJZCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-10-12-7-8-14-15(9-12)19(11-16(20)18-14)13-5-3-1-2-4-6-13/h7-9,13H,1-6,11H2,(H,18,20).
What are the key properties of 4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile is sourced from PubChem (CID 117007047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).