N-(6-methoxyquinolin-8-yl)-9-(4-methylpiperazin-1-yl)nonanamide

C24H36N4O2 — CID 44532223

IUPACN-(6-methoxyquinolin-8-yl)-9-(4-methylpiperazin-1-yl)nonanamide
SMILESCOc1cc(NC(=O)CCCCCCCCN2CCN(C)CC2)c2ncccc2c1
InChIInChI=1S/C24H36N4O2/c1-27-14-16-28(17-15-27)13-8-6-4-3-5-7-11-23(29)26-22-19-21(30-2)18-20-10-9-12-25-24(20)22/h9-10,12,18-19H,3-8,11,13-17H2,1-2H3,(H,26,29)
InChIKeyPYNCWVUMPLIQJE-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.16
Rot. Bonds11

About N-(6-methoxyquinolin-8-yl)-9-(4-methylpiperazin-1-yl)nonanamide

N-(6-methoxyquinolin-8-yl)-9-(4-methylpiperazin-1-yl)nonanamide (PubChem CID 44532223) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-(6-methoxyquinolin-8-yl)-9-(4-methylpiperazin-1-yl)nonanamide.

Molecular Properties

Compound NameN-(6-methoxyquinolin-8-yl)-9-(4-methylpiperazin-1-yl)nonanamide
PubChem CID44532223
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC NameN-(6-methoxyquinolin-8-yl)-9-(4-methylpiperazin-1-yl)nonanamide
SMILESCOc1cc(NC(=O)CCCCCCCCN2CCN(C)CC2)c2ncccc2c1
InChIInChI=1S/C24H36N4O2/c1-27-14-16-28(17-15-27)13-8-6-4-3-5-7-11-23(29)26-22-19-21(30-2)18-20-10-9-12-25-24(20)22/h9-10,12,18-19H,3-8,11,13-17H2,1-2H3,(H,26,29)
InChIKeyPYNCWVUMPLIQJE-UHFFFAOYSA-N
XLogP4.16
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.16
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)-9-(4-methylpiperazin-1-yl)nonanamide?
The IUPAC name of N-(6-methoxyquinolin-8-yl)-9-(4-methylpiperazin-1-yl)nonanamide (CID 44532223) is N-(6-methoxyquinolin-8-yl)-9-(4-methylpiperazin-1-yl)nonanamide.
What is the SMILES notation for N-(6-methoxyquinolin-8-yl)-9-(4-methylpiperazin-1-yl)nonanamide?
The canonical SMILES for N-(6-methoxyquinolin-8-yl)-9-(4-methylpiperazin-1-yl)nonanamide is COc1cc(NC(=O)CCCCCCCCN2CCN(C)CC2)c2ncccc2c1.
What is the InChIKey of N-(6-methoxyquinolin-8-yl)-9-(4-methylpiperazin-1-yl)nonanamide?
The InChIKey is PYNCWVUMPLIQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-27-14-16-28(17-15-27)13-8-6-4-3-5-7-11-23(29)26-22-19-21(30-2)18-20-10-9-12-25-24(20)22/h9-10,12,18-19H,3-8,11,13-17H2,1-2H3,(H,26,29).
What are the key properties of N-(6-methoxyquinolin-8-yl)-9-(4-methylpiperazin-1-yl)nonanamide?
N-(6-methoxyquinolin-8-yl)-9-(4-methylpiperazin-1-yl)nonanamide has a molecular weight of 412.58 g/mol, XLogP of 4.16, 11 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)-9-(4-methylpiperazin-1-yl)nonanamide is sourced from PubChem (CID 44532223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).