5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine

C26H25N3O3 — CID 110530904

About 5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine

5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine (PubChem CID 110530904) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine.

Molecular Properties

• Compound Name: 5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
• PubChem CID: 110530904
• Molecular Formula: C26H25N3O3
• Molecular Weight: 427.50 g/mol
• Exact Mass: 427.19
• IUPAC Name: 5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
• SMILES: CCCN1CCc2c(c(-c3ccc(OC)c([N+](=O)[O-])c3)nc3ccc4ccccc4c23)C1
• InChI: InChI=1S/C26H25N3O3/c1-3-13-28-14-12-20-21(16-28)26(18-9-11-24(32-2)23(15-18)29(30)31)27-22-10-8-17-6-4-5-7-19(17)25(20)22/h4-11,15H,3,12-14,16H2,1-2H3
• InChIKey: DRIGNUVNACDYFO-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 68.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.50
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?

The IUPAC name of 5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine (CID 110530904) is 5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine.

What is the SMILES notation for 5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?

The canonical SMILES for 5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine is CCCN1CCc2c(c(-c3ccc(OC)c([N+](=O)[O-])c3)nc3ccc4ccccc4c23)C1.

What is the InChIKey of 5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?

The InChIKey is DRIGNUVNACDYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-3-13-28-14-12-20-21(16-28)26(18-9-11-24(32-2)23(15-18)29(30)31)27-22-10-8-17-6-4-5-7-19(17)25(20)22/h4-11,15H,3,12-14,16H2,1-2H3.

What are the key properties of 5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?

5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine has a molecular weight of 427.50 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine is sourced from PubChem (CID 110530904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).