8-(4-methylpiperazin-1-yl)-5-nitroquinoline

C14H16N4O2 — CID 2829619

IUPAC8-(4-methylpiperazin-1-yl)-5-nitroquinoline
SMILESCN1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1
InChIInChI=1S/C14H16N4O2/c1-16-7-9-17(10-8-16)13-5-4-12(18(19)20)11-3-2-6-15-14(11)13/h2-6H,7-10H2,1H3
InChIKeyHMNVCTLPNUWCPO-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.89
Rot. Bonds2

About 8-(4-methylpiperazin-1-yl)-5-nitroquinoline

8-(4-methylpiperazin-1-yl)-5-nitroquinoline (PubChem CID 2829619) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)-5-nitroquinoline.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)-5-nitroquinoline
PubChem CID2829619
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name8-(4-methylpiperazin-1-yl)-5-nitroquinoline
SMILESCN1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1
InChIInChI=1S/C14H16N4O2/c1-16-7-9-17(10-8-16)13-5-4-12(18(19)20)11-3-2-6-15-14(11)13/h2-6H,7-10H2,1H3
InChIKeyHMNVCTLPNUWCPO-UHFFFAOYSA-N
XLogP1.89
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.89
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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Related Compounds

4-Nitroquinoline 1-Oxide
CID 5955
8-Nitroquinoline
CID 11830
5-Nitroquinoline
CID 11829
5-Nitro-1,10-phenanthroline
CID 72790
3-Methyl-4-nitroquinoline N-oxide
CID 26446
8-Methyl-5-nitroquinoline
CID 246300
6-Methyl-5-nitroquinoline
CID 90009
6-Nitroquinoline
CID 11945
7-Methyl-8-nitroquinoline
CID 81981
Zgwatinib
CID 50997095
3-Nitroquinoline
CID 25551
Quinoline, 4-nitro-
CID 77341

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)-5-nitroquinoline?
The IUPAC name of 8-(4-methylpiperazin-1-yl)-5-nitroquinoline (CID 2829619) is 8-(4-methylpiperazin-1-yl)-5-nitroquinoline.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)-5-nitroquinoline?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)-5-nitroquinoline is CN1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)-5-nitroquinoline?
The InChIKey is HMNVCTLPNUWCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-16-7-9-17(10-8-16)13-5-4-12(18(19)20)11-3-2-6-15-14(11)13/h2-6H,7-10H2,1H3.
What are the key properties of 8-(4-methylpiperazin-1-yl)-5-nitroquinoline?
8-(4-methylpiperazin-1-yl)-5-nitroquinoline has a molecular weight of 272.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)-5-nitroquinoline is sourced from PubChem (CID 2829619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).