1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C30H26F2N4O2 — CID 166831569

About 1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831569) has the molecular formula C30H26F2N4O2 and a molecular weight of 512.56 g/mol. Its IUPAC name is 1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 166831569
• Molecular Formula: C30H26F2N4O2
• Molecular Weight: 512.56 g/mol
• Exact Mass: 512.20
• IUPAC Name: 1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: C=C(Cn1c(=O)c(C(=O)NC(C)c2ccc(F)cc2)cc2cc(-c3ccc(F)cc3)cnc21)/N=C/C=C\C
• InChI: InChI=1S/C30H26F2N4O2/c1-4-5-14-33-19(2)18-36-28-23(15-24(17-34-28)22-8-12-26(32)13-9-22)16-27(30(36)38)29(37)35-20(3)21-6-10-25(31)11-7-21/h4-17,20H,2,18H2,1,3H3,(H,35,37)/b5-4-,33-14+
• InChIKey: BEYIPJLFOBMOMF-FQNMJIDJSA-N
• XLogP: 5.99
• TPSA: 76.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.56
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831569) is 1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is C=C(Cn1c(=O)c(C(=O)NC(C)c2ccc(F)cc2)cc2cc(-c3ccc(F)cc3)cnc21)/N=C/C=C\C.

What is the InChIKey of 1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is BEYIPJLFOBMOMF-FQNMJIDJSA-N. The full InChI is InChI=1S/C30H26F2N4O2/c1-4-5-14-33-19(2)18-36-28-23(15-24(17-34-28)22-8-12-26(32)13-9-22)16-27(30(36)38)29(37)35-20(3)21-6-10-25(31)11-7-21/h4-17,20H,2,18H2,1,3H3,(H,35,37)/b5-4-,33-14+.

What are the key properties of 1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 512.56 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]-6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).