N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

C26H25N5O2 — CID 108797824

About N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 108797824) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
• PubChem CID: 108797824
• Molecular Formula: C26H25N5O2
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.20
• IUPAC Name: N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)n(-c2cc(C)c3cccc(C)c3n2)n1
• InChI: InChI=1S/C26H25N5O2/c1-15-6-4-8-20-16(2)12-22(28-25(15)20)31-23(13-17(3)30-31)29-26(33)19-10-11-21-18(14-19)7-5-9-24(32)27-21/h4,6,8,10-14H,5,7,9H2,1-3H3,(H,27,32)(H,29,33)
• InChIKey: UNRMTMICSHNJAN-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?

The IUPAC name of N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 108797824) is N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

What is the SMILES notation for N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?

The canonical SMILES for N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is Cc1cc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)n(-c2cc(C)c3cccc(C)c3n2)n1.

What is the InChIKey of N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?

The InChIKey is UNRMTMICSHNJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-15-6-4-8-20-16(2)12-22(28-25(15)20)31-23(13-17(3)30-31)29-26(33)19-10-11-21-18(14-19)7-5-9-24(32)27-21/h4,6,8,10-14H,5,7,9H2,1-3H3,(H,27,32)(H,29,33).

What are the key properties of N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?

N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 108797824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).