4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride

C14H17ClN4O2 — CID 23723897

IUPAC4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride
SMILESCN1CCN(c2c([N+](=O)[O-])cnc3ccccc23)CC1.Cl
InChIInChI=1S/C14H16N4O2.ClH/c1-16-6-8-17(9-7-16)14-11-4-2-3-5-12(11)15-10-13(14)18(19)20;/h2-5,10H,6-9H2,1H3;1H
InChIKeyCVSCCTIESSLFOH-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.32
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride

4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride (PubChem CID 23723897) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride
PubChem CID23723897
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride
SMILESCN1CCN(c2c([N+](=O)[O-])cnc3ccccc23)CC1.Cl
InChIInChI=1S/C14H16N4O2.ClH/c1-16-6-8-17(9-7-16)14-11-4-2-3-5-12(11)15-10-13(14)18(19)20;/h2-5,10H,6-9H2,1H3;1H
InChIKeyCVSCCTIESSLFOH-UHFFFAOYSA-N
XLogP2.32
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.32
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 4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride (CID 23723897) is 4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride is CN1CCN(c2c([N+](=O)[O-])cnc3ccccc23)CC1.Cl.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride?
The InChIKey is CVSCCTIESSLFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2.ClH/c1-16-6-8-17(9-7-16)14-11-4-2-3-5-12(11)15-10-13(14)18(19)20;/h2-5,10H,6-9H2,1H3;1H.
What are the key properties of 4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride?
4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride has a molecular weight of 308.77 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-3-nitroquinoline;hydrochloride is sourced from PubChem (CID 23723897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).