6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile

C18H15N7O2 — CID 133310248

IUPAC6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCN(c3cnccn3)CC2)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C18H15N7O2/c19-11-13-9-17(22-16-2-1-14(25(26)27)10-15(13)16)23-5-7-24(8-6-23)18-12-20-3-4-21-18/h1-4,9-10,12H,5-8H2
InChIKeyWZCCTQQZQIZKDI-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.13
Rot. Bonds3

About 6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile

6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile (PubChem CID 133310248) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile
PubChem CID133310248
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCN(c3cnccn3)CC2)nc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C18H15N7O2/c19-11-13-9-17(22-16-2-1-14(25(26)27)10-15(13)16)23-5-7-24(8-6-23)18-12-20-3-4-21-18/h1-4,9-10,12H,5-8H2
InChIKeyWZCCTQQZQIZKDI-UHFFFAOYSA-N
XLogP2.13
TPSA112.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-6-nitroquinoline-4-carbonitrile
CID 133486318
2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-6-nitroquinoline-4-carbonitrile
CID 133310580
2-[4-(3-methylbutyl)piperazin-1-yl]-6-nitroquinoline-4-carbonitrile
CID 133317089
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-6-nitroquinoline-4-carbonitrile
CID 133310291
2-(2,2-dimethylmorpholin-4-yl)-6-nitroquinoline-4-carbonitrile
CID 133310884
2-[4-[hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]-6-nitroquinoline-4-carbonitrile
CID 86806528
2-[3-(azepan-1-yl)piperidin-1-yl]-6-nitroquinoline-4-carbonitrile
CID 133454385
ethyl 2-[4-(4-cyano-6-nitroquinolin-2-yl)-1,4-diazepan-1-yl]acetate
CID 133346352
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-6-nitroquinoline-4-carbonitrile
CID 133324778
2-(3-ethyl-4-oxoimidazolidin-1-yl)-6-nitroquinoline-4-carbonitrile
CID 133499814
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-nitroquinoline-4-carbonitrile
CID 133318466
1-(4-cyano-6-nitroquinolin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106703

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile?
The IUPAC name of 6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile (CID 133310248) is 6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile?
The canonical SMILES for 6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile is N#Cc1cc(N2CCN(c3cnccn3)CC2)nc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile?
The InChIKey is WZCCTQQZQIZKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c19-11-13-9-17(22-16-2-1-14(25(26)27)10-15(13)16)23-5-7-24(8-6-23)18-12-20-3-4-21-18/h1-4,9-10,12H,5-8H2.
What are the key properties of 6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile?
6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile has a molecular weight of 361.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-(4-pyrazin-2-ylpiperazin-1-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 133310248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).