2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile

C19H21N5 — CID 3631874

IUPAC2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESCC1CCCC(n2c(N)c(C#N)c3nc4ccccc4nc32)C1C
InChIInChI=1S/C19H21N5/c1-11-6-5-9-16(12(11)2)24-18(21)13(10-20)17-19(24)23-15-8-4-3-7-14(15)22-17/h3-4,7-8,11-12,16H,5-6,9,21H2,1-2H3
InChIKeyZRVKUHPGRYCBQJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.04
Rot. Bonds1

About 2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile

2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 3631874) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID3631874
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESCC1CCCC(n2c(N)c(C#N)c3nc4ccccc4nc32)C1C
InChIInChI=1S/C19H21N5/c1-11-6-5-9-16(12(11)2)24-18(21)13(10-20)17-19(24)23-15-8-4-3-7-14(15)22-17/h3-4,7-8,11-12,16H,5-6,9,21H2,1-2H3
InChIKeyZRVKUHPGRYCBQJ-UHFFFAOYSA-N
XLogP4.04
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (CID 3631874) is 2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is CC1CCCC(n2c(N)c(C#N)c3nc4ccccc4nc32)C1C.
What is the InChIKey of 2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is ZRVKUHPGRYCBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-11-6-5-9-16(12(11)2)24-18(21)13(10-20)17-19(24)23-15-8-4-3-7-14(15)22-17/h3-4,7-8,11-12,16H,5-6,9,21H2,1-2H3.
What are the key properties of 2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile has a molecular weight of 319.41 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 3631874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).