cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium

C21H30N3O2+ — CID 58424891

About cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium

cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium (PubChem CID 58424891) has the molecular formula C21H30N3O2+ and a molecular weight of 356.49 g/mol. Its IUPAC name is cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium.

Molecular Properties

• Compound Name: cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium
• PubChem CID: 58424891
• Molecular Formula: C21H30N3O2+
• Molecular Weight: 356.49 g/mol
• Exact Mass: 356.23
• IUPAC Name: cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium
• SMILES: COc1cc(C[N+](C)(C)C2CCCC2)cc2[nH]c(=O)c3c(c12)NCCC3
• InChI: InChI=1S/C21H29N3O2/c1-24(2,15-7-4-5-8-15)13-14-11-17-19(18(12-14)26-3)20-16(21(25)23-17)9-6-10-22-20/h11-12,15H,4-10,13H2,1-3H3,(H-,22,23,25)/p+1
• InChIKey: RUTSEWSETKQOEM-UHFFFAOYSA-O
• XLogP: 3.41
• TPSA: 54.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.49
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium?

The IUPAC name of cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium (CID 58424891) is cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium.

What is the SMILES notation for cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium?

The canonical SMILES for cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium is COc1cc(C[N+](C)(C)C2CCCC2)cc2[nH]c(=O)c3c(c12)NCCC3.

What is the InChIKey of cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium?

The InChIKey is RUTSEWSETKQOEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H29N3O2/c1-24(2,15-7-4-5-8-15)13-14-11-17-19(18(12-14)26-3)20-16(21(25)23-17)9-6-10-22-20/h11-12,15H,4-10,13H2,1-3H3,(H-,22,23,25)/p+1.

What are the key properties of cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium?

cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium has a molecular weight of 356.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium is sourced from PubChem (CID 58424891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).