N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

C24H21N5O2 — CID 108797812

About N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 108797812) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

• Compound Name: N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
• PubChem CID: 108797812
• Molecular Formula: C24H21N5O2
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.17
• IUPAC Name: N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)n(-c2ccc3ccccc3n2)n1
• InChI: InChI=1S/C24H21N5O2/c1-15-13-22(29(28-15)21-12-10-16-5-2-3-7-19(16)25-21)27-24(31)18-9-11-20-17(14-18)6-4-8-23(30)26-20/h2-3,5,7,9-14H,4,6,8H2,1H3,(H,26,30)(H,27,31)
• InChIKey: AEASUSOCQVUQJA-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?

The IUPAC name of N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 108797812) is N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

What is the SMILES notation for N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?

The canonical SMILES for N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is Cc1cc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)n(-c2ccc3ccccc3n2)n1.

What is the InChIKey of N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?

The InChIKey is AEASUSOCQVUQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-15-13-22(29(28-15)21-12-10-16-5-2-3-7-19(16)25-21)27-24(31)18-9-11-20-17(14-18)6-4-8-23(30)26-20/h2-3,5,7,9-14H,4,6,8H2,1H3,(H,26,30)(H,27,31).

What are the key properties of N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?

N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 108797812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).