1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile

C14H8N4O2 — CID 114653212

IUPAC1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C14H8N4O2/c15-8-10-4-3-7-17(10)14-11-5-1-2-6-12(11)16-9-13(14)18(19)20/h1-7,9H
InChIKeyDBFSVEJGAWCDCD-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.81
Rot. Bonds2

About 1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile

1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile (PubChem CID 114653212) has the molecular formula C14H8N4O2 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile
PubChem CID114653212
Molecular FormulaC14H8N4O2
Molecular Weight264.24 g/mol
Exact Mass264.06
IUPAC Name1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C14H8N4O2/c15-8-10-4-3-7-17(10)14-11-5-1-2-6-12(11)16-9-13(14)18(19)20/h1-7,9H
InChIKeyDBFSVEJGAWCDCD-UHFFFAOYSA-N
XLogP2.81
TPSA84.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
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

3-nitro-4-(2-propylimidazol-1-yl)quinoline
CID 103964908
1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653386
1-(5-methyl-4-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653217
1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673427
4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid
CID 114650595
1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114655593
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-nitroquinoline
CID 103964827
4-chloro-3-nitroquinoline;ethane
CID 90799881
1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde
CID 103964899
3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol
CID 114680956
2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine
CID 103964815
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile (CID 114653212) is 1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile is N#Cc1cccn1-c1c([N+](=O)[O-])cnc2ccccc12.
What is the InChIKey of 1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile?
The InChIKey is DBFSVEJGAWCDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O2/c15-8-10-4-3-7-17(10)14-11-5-1-2-6-12(11)16-9-13(14)18(19)20/h1-7,9H.
What are the key properties of 1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile?
1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile has a molecular weight of 264.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile is sourced from PubChem (CID 114653212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).