14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene

C22H26N4 — CID 151657750

IUPAC14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene
SMILESCN1CCN(CCCN2Cc3c4ccccc4nc4cccc2c34)CC1
InChIInChI=1S/C22H26N4/c1-24-12-14-25(15-13-24)10-5-11-26-16-18-17-6-2-3-7-19(17)23-20-8-4-9-21(26)22(18)20/h2-4,6-9H,5,10-16H2,1H3
InChIKeyQVWJURXZIFOODE-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.35
Rot. Bonds4

About 14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene

14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene (PubChem CID 151657750) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene.

Molecular Properties

Compound Name14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene
PubChem CID151657750
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene
SMILESCN1CCN(CCCN2Cc3c4ccccc4nc4cccc2c34)CC1
InChIInChI=1S/C22H26N4/c1-24-12-14-25(15-13-24)10-5-11-26-16-18-17-6-2-3-7-19(17)23-20-8-4-9-21(26)22(18)20/h2-4,6-9H,5,10-16H2,1H3
InChIKeyQVWJURXZIFOODE-UHFFFAOYSA-N
XLogP3.35
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene?
The IUPAC name of 14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene (CID 151657750) is 14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene.
What is the SMILES notation for 14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene?
The canonical SMILES for 14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene is CN1CCN(CCCN2Cc3c4ccccc4nc4cccc2c34)CC1.
What is the InChIKey of 14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene?
The InChIKey is QVWJURXZIFOODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-24-12-14-25(15-13-24)10-5-11-26-16-18-17-6-2-3-7-19(17)23-20-8-4-9-21(26)22(18)20/h2-4,6-9H,5,10-16H2,1H3.
What are the key properties of 14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene?
14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene has a molecular weight of 346.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-(4-methylpiperazin-1-yl)propyl]-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 151657750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).