(4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid

C28H24N2O2 — CID 7948059

About (4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid

(4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid (PubChem CID 7948059) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is (4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid.

Molecular Properties

• Compound Name: (4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
• PubChem CID: 7948059
• Molecular Formula: C28H24N2O2
• Molecular Weight: 420.51 g/mol
• Exact Mass: 420.18
• IUPAC Name: (4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
• SMILES: Cc1ccccc1/C=C1\CN(Cc2ccccc2)Cc2c1nc1ccccc1c2C(=O)O
• InChI: InChI=1S/C28H24N2O2/c1-19-9-5-6-12-21(19)15-22-17-30(16-20-10-3-2-4-11-20)18-24-26(28(31)32)23-13-7-8-14-25(23)29-27(22)24/h2-15H,16-18H2,1H3,(H,31,32)/b22-15+
• InChIKey: UBZASWXFQAJTKX-PXLXIMEGSA-N
• XLogP: 5.80
• TPSA: 53.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.51
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?

The IUPAC name of (4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid (CID 7948059) is (4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid.

What is the SMILES notation for (4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?

The canonical SMILES for (4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is Cc1ccccc1/C=C1\CN(Cc2ccccc2)Cc2c1nc1ccccc1c2C(=O)O.

What is the InChIKey of (4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?

The InChIKey is UBZASWXFQAJTKX-PXLXIMEGSA-N. The full InChI is InChI=1S/C28H24N2O2/c1-19-9-5-6-12-21(19)15-22-17-30(16-20-10-3-2-4-11-20)18-24-26(28(31)32)23-13-7-8-14-25(23)29-27(22)24/h2-15H,16-18H2,1H3,(H,31,32)/b22-15+.

What are the key properties of (4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?

(4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid has a molecular weight of 420.51 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4E)-2-benzyl-4-[(2-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is sourced from PubChem (CID 7948059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).