5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline

C19H17N5O4 — CID 2868370

IUPAC5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
SMILESO=[N+]([O-])c1ccccc1N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1
InChIInChI=1S/C19H17N5O4/c25-23(26)15-7-8-18(19-14(15)4-3-9-20-19)22-12-10-21(11-13-22)16-5-1-2-6-17(16)24(27)28/h1-9H,10-13H2
InChIKeyHAAXOKRDBOYXBO-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.38
Rot. Bonds4

About 5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline

5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline (PubChem CID 2868370) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is 5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
PubChem CID2868370
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC Name5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
SMILESO=[N+]([O-])c1ccccc1N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1
InChIInChI=1S/C19H17N5O4/c25-23(26)15-7-8-18(19-14(15)4-3-9-20-19)22-12-10-21(11-13-22)16-5-1-2-6-17(16)24(27)28/h1-9H,10-13H2
InChIKeyHAAXOKRDBOYXBO-UHFFFAOYSA-N
XLogP3.38
TPSA105.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

5-nitro-8-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 46238560
5-nitro-8-piperidin-1-ylquinoline
CID 3124100
4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol
CID 30746841
5-nitro-8-(4-pyridin-2-ylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)
CID 46238557
4-(5-nitroquinolin-8-yl)piperazin-2-one
CID 46850818
1'-(5-nitroquinolin-8-yl)spiro[indene-1,4'-piperidine]
CID 46238580
8-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-nitroquinoline
CID 66211256
(3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
CID 2866417
N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide
CID 133287702
N-[(2S)-butan-2-yl]-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]acetamide
CID 25332109
(3,4-dimethoxyphenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
CID 31662357
(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine
CID 135411622

Frequently Asked Questions

What is the IUPAC name of 5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline?
The IUPAC name of 5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline (CID 2868370) is 5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline.
What is the SMILES notation for 5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline?
The canonical SMILES for 5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline is O=[N+]([O-])c1ccccc1N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1.
What is the InChIKey of 5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline?
The InChIKey is HAAXOKRDBOYXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c25-23(26)15-7-8-18(19-14(15)4-3-9-20-19)22-12-10-21(11-13-22)16-5-1-2-6-17(16)24(27)28/h1-9H,10-13H2.
What are the key properties of 5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline?
5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline has a molecular weight of 379.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline is sourced from PubChem (CID 2868370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).