2-(2-methylpiperazin-1-yl)-6-nitroquinoline

C14H16N4O2 — CID 10107282

IUPAC2-(2-methylpiperazin-1-yl)-6-nitroquinoline
SMILESCC1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H16N4O2/c1-10-9-15-6-7-17(10)14-5-2-11-8-12(18(19)20)3-4-13(11)16-14/h2-5,8,10,15H,6-7,9H2,1H3
InChIKeyFKUBYYORONCDIQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.94
Rot. Bonds2

About 2-(2-methylpiperazin-1-yl)-6-nitroquinoline

2-(2-methylpiperazin-1-yl)-6-nitroquinoline (PubChem CID 10107282) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-6-nitroquinoline.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-6-nitroquinoline
PubChem CID10107282
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(2-methylpiperazin-1-yl)-6-nitroquinoline
SMILESCC1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H16N4O2/c1-10-9-15-6-7-17(10)14-5-2-11-8-12(18(19)20)3-4-13(11)16-14/h2-5,8,10,15H,6-7,9H2,1H3
InChIKeyFKUBYYORONCDIQ-UHFFFAOYSA-N
XLogP1.94
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-6-nitroquinoline?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-6-nitroquinoline (CID 10107282) is 2-(2-methylpiperazin-1-yl)-6-nitroquinoline.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-6-nitroquinoline?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-6-nitroquinoline is CC1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-6-nitroquinoline?
The InChIKey is FKUBYYORONCDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-9-15-6-7-17(10)14-5-2-11-8-12(18(19)20)3-4-13(11)16-14/h2-5,8,10,15H,6-7,9H2,1H3.
What are the key properties of 2-(2-methylpiperazin-1-yl)-6-nitroquinoline?
2-(2-methylpiperazin-1-yl)-6-nitroquinoline has a molecular weight of 272.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-6-nitroquinoline is sourced from PubChem (CID 10107282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).