(8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile

C30H23F2N3O — CID 72943737

About (8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile

(8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 72943737) has the molecular formula C30H23F2N3O and a molecular weight of 479.53 g/mol. Its IUPAC name is (8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

• Compound Name: (8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile
• PubChem CID: 72943737
• Molecular Formula: C30H23F2N3O
• Molecular Weight: 479.53 g/mol
• Exact Mass: 479.18
• IUPAC Name: (8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile
• SMILES: Cc1ccc(CN2C/C(=C/c3ccccc3F)c3[nH]c(=O)c(C#N)c(-c4ccccc4F)c3C2)cc1
• InChI: InChI=1S/C30H23F2N3O/c1-19-10-12-20(13-11-19)16-35-17-22(14-21-6-2-4-8-26(21)31)29-25(18-35)28(24(15-33)30(36)34-29)23-7-3-5-9-27(23)32/h2-14H,16-18H2,1H3,(H,34,36)/b22-14-
• InChIKey: VHKPNYGNGADKPA-HMAPJEAMSA-N
• XLogP: 6.06
• TPSA: 59.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.53
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile?

The IUPAC name of (8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile (CID 72943737) is (8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile.

What is the SMILES notation for (8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile?

The canonical SMILES for (8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile is Cc1ccc(CN2C/C(=C/c3ccccc3F)c3[nH]c(=O)c(C#N)c(-c4ccccc4F)c3C2)cc1.

What is the InChIKey of (8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile?

The InChIKey is VHKPNYGNGADKPA-HMAPJEAMSA-N. The full InChI is InChI=1S/C30H23F2N3O/c1-19-10-12-20(13-11-19)16-35-17-22(14-21-6-2-4-8-26(21)31)29-25(18-35)28(24(15-33)30(36)34-29)23-7-3-5-9-27(23)32/h2-14H,16-18H2,1H3,(H,34,36)/b22-14-.

What are the key properties of (8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile?

(8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 479.53 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (8Z)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 72943737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).