6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline

C15H18N4O2 — CID 65463022

IUPAC6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline
SMILESCC1(C)CNCCN1c1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O2/c1-15(2)10-16-8-9-18(15)13-6-5-12-11(4-3-7-17-12)14(13)19(20)21/h3-7,16H,8-10H2,1-2H3
InChIKeyWDJUGKUICYMYIZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.33
Rot. Bonds2

About 6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline

6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline (PubChem CID 65463022) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline.

Molecular Properties

Compound Name6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline
PubChem CID65463022
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline
SMILESCC1(C)CNCCN1c1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O2/c1-15(2)10-16-8-9-18(15)13-6-5-12-11(4-3-7-17-12)14(13)19(20)21/h3-7,16H,8-10H2,1-2H3
InChIKeyWDJUGKUICYMYIZ-UHFFFAOYSA-N
XLogP2.33
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.33
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 6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline?
The IUPAC name of 6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline (CID 65463022) is 6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline.
What is the SMILES notation for 6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline?
The canonical SMILES for 6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline is CC1(C)CNCCN1c1ccc2ncccc2c1[N+](=O)[O-].
What is the InChIKey of 6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline?
The InChIKey is WDJUGKUICYMYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(2)10-16-8-9-18(15)13-6-5-12-11(4-3-7-17-12)14(13)19(20)21/h3-7,16H,8-10H2,1-2H3.
What are the key properties of 6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline?
6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline has a molecular weight of 286.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpiperazin-1-yl)-5-nitroquinoline is sourced from PubChem (CID 65463022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).