2-(4-ethylpiperazin-1-yl)-6-nitroquinoline

C15H18N4O2 — CID 58646212

IUPAC2-(4-ethylpiperazin-1-yl)-6-nitroquinoline
SMILESCCN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1
InChIInChI=1S/C15H18N4O2/c1-2-17-7-9-18(10-8-17)15-6-3-12-11-13(19(20)21)4-5-14(12)16-15/h3-6,11H,2,7-10H2,1H3
InChIKeyNXNMTEZNKLVSCX-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.28
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-6-nitroquinoline

2-(4-ethylpiperazin-1-yl)-6-nitroquinoline (PubChem CID 58646212) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-6-nitroquinoline.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-6-nitroquinoline
PubChem CID58646212
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-(4-ethylpiperazin-1-yl)-6-nitroquinoline
SMILESCCN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1
InChIInChI=1S/C15H18N4O2/c1-2-17-7-9-18(10-8-17)15-6-3-12-11-13(19(20)21)4-5-14(12)16-15/h3-6,11H,2,7-10H2,1H3
InChIKeyNXNMTEZNKLVSCX-UHFFFAOYSA-N
XLogP2.28
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-nitroquinoline?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-nitroquinoline (CID 58646212) is 2-(4-ethylpiperazin-1-yl)-6-nitroquinoline.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-6-nitroquinoline?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-6-nitroquinoline is CCN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-6-nitroquinoline?
The InChIKey is NXNMTEZNKLVSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-17-7-9-18(10-8-17)15-6-3-12-11-13(19(20)21)4-5-14(12)16-15/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-6-nitroquinoline?
2-(4-ethylpiperazin-1-yl)-6-nitroquinoline has a molecular weight of 286.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-6-nitroquinoline is sourced from PubChem (CID 58646212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).