2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile

C22H20N6 — CID 987559

IUPAC2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(-c2ccc(N3CCCCC3)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C22H20N6/c23-14-17-20-22(26-19-7-3-2-6-18(19)25-20)28(21(17)24)16-10-8-15(9-11-16)27-12-4-1-5-13-27/h2-3,6-11H,1,4-5,12-13,24H2
InChIKeyLAIXJEBGHVVMNJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.02
Rot. Bonds2

About 2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile

2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 987559) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID987559
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(-c2ccc(N3CCCCC3)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C22H20N6/c23-14-17-20-22(26-19-7-3-2-6-18(19)25-20)28(21(17)24)16-10-8-15(9-11-16)27-12-4-1-5-13-27/h2-3,6-11H,1,4-5,12-13,24H2
InChIKeyLAIXJEBGHVVMNJ-UHFFFAOYSA-N
XLogP4.02
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 911015
2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 853276
2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 657501
1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 933055
2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 745688
2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 168731126
2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 3631874
6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile
CID 23989728
1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 2310656
4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide
CID 2415621
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
N-(3-cyano-1-cyclohexylpyrrolo[3,2-b]quinoxalin-2-yl)propanamide
CID 658936

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (CID 987559) is 2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is N#Cc1c(N)n(-c2ccc(N3CCCCC3)cc2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is LAIXJEBGHVVMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c23-14-17-20-22(26-19-7-3-2-6-18(19)25-20)28(21(17)24)16-10-8-15(9-11-16)27-12-4-1-5-13-27/h2-3,6-11H,1,4-5,12-13,24H2.
What are the key properties of 2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile has a molecular weight of 368.44 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 987559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).