6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline

C15H18N4O2 — CID 154447638

IUPAC6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline
SMILESO=[N+]([O-])c1cc2c(c3c1CC(N1CCCC1)C3)NC=CN2
InChIInChI=1S/C15H18N4O2/c20-19(21)14-9-13-15(17-4-3-16-13)12-8-10(7-11(12)14)18-5-1-2-6-18/h3-4,9-10,16-17H,1-2,5-8H2
InChIKeyWVKHVZRMIHLUIB-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.47
Rot. Bonds2

About 6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline

6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline (PubChem CID 154447638) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline.

Molecular Properties

Compound Name6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline
PubChem CID154447638
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline
SMILESO=[N+]([O-])c1cc2c(c3c1CC(N1CCCC1)C3)NC=CN2
InChIInChI=1S/C15H18N4O2/c20-19(21)14-9-13-15(17-4-3-16-13)12-8-10(7-11(12)14)18-5-1-2-6-18/h3-4,9-10,16-17H,1-2,5-8H2
InChIKeyWVKHVZRMIHLUIB-UHFFFAOYSA-N
XLogP2.47
TPSA70.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-nitro-9-pyrrolidin-1-yl-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione
CID 19696268
4-bromo-2-nitro-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 19696196
1-cyclohexylpiperidine;2,4,6-trinitrophenol
CID 72942902
2-nitro-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzonitrile
CID 115501200
3,5-dinitro-4-pyrrolidin-1-ylbenzoic acid
CID 12005642
1-[1-(4,5-dimethoxy-2-nitrophenyl)piperidin-3-yl]azepane
CID 133454460
1-[1-(4-bromo-2-nitrophenyl)pyrrolidin-3-yl]piperidine
CID 63175015
2-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)benzoic acid
CID 66736354
1-(3-ethyl-4-nitrophenyl)-4-piperidin-1-ylpiperidine
CID 59452871
1-(4,5-dimethoxy-2-nitrophenyl)pyrrolidine
CID 616606
1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine
CID 71145229
1-[1-[2-methoxy-4-nitro-5-(oxan-4-yl)phenyl]piperidin-4-yl]-4-methylpiperazine
CID 166710961

Frequently Asked Questions

What is the IUPAC name of 6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline?
The IUPAC name of 6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline (CID 154447638) is 6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline.
What is the SMILES notation for 6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline?
The canonical SMILES for 6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline is O=[N+]([O-])c1cc2c(c3c1CC(N1CCCC1)C3)NC=CN2.
What is the InChIKey of 6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline?
The InChIKey is WVKHVZRMIHLUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-19(21)14-9-13-15(17-4-3-16-13)12-8-10(7-11(12)14)18-5-1-2-6-18/h3-4,9-10,16-17H,1-2,5-8H2.
What are the key properties of 6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline?
6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline has a molecular weight of 286.33 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-8-pyrrolidin-1-yl-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline is sourced from PubChem (CID 154447638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).