N-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide

C23H34N4O2 — CID 44532226

IUPACN-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide
SMILESCOc1cc(NC(=O)CCCCCCCN2CCN(C)CC2)c2ncccc2c1
InChIInChI=1S/C23H34N4O2/c1-26-13-15-27(16-14-26)12-7-5-3-4-6-10-22(28)25-21-18-20(29-2)17-19-9-8-11-24-23(19)21/h8-9,11,17-18H,3-7,10,12-16H2,1-2H3,(H,25,28)
InChIKeyACTXXNLBWNDPAL-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.77
Rot. Bonds10

About N-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide

N-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide (PubChem CID 44532226) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide.

Molecular Properties

Compound NameN-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide
PubChem CID44532226
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide
SMILESCOc1cc(NC(=O)CCCCCCCN2CCN(C)CC2)c2ncccc2c1
InChIInChI=1S/C23H34N4O2/c1-26-13-15-27(16-14-26)12-7-5-3-4-6-10-22(28)25-21-18-20(29-2)17-19-9-8-11-24-23(19)21/h8-9,11,17-18H,3-7,10,12-16H2,1-2H3,(H,25,28)
InChIKeyACTXXNLBWNDPAL-UHFFFAOYSA-N
XLogP3.77
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide?
The IUPAC name of N-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide (CID 44532226) is N-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide.
What is the SMILES notation for N-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide?
The canonical SMILES for N-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide is COc1cc(NC(=O)CCCCCCCN2CCN(C)CC2)c2ncccc2c1.
What is the InChIKey of N-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide?
The InChIKey is ACTXXNLBWNDPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-26-13-15-27(16-14-26)12-7-5-3-4-6-10-22(28)25-21-18-20(29-2)17-19-9-8-11-24-23(19)21/h8-9,11,17-18H,3-7,10,12-16H2,1-2H3,(H,25,28).
What are the key properties of N-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide?
N-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide has a molecular weight of 398.55 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxyquinolin-8-yl)-8-(4-methylpiperazin-1-yl)octanamide is sourced from PubChem (CID 44532226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).