N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

C25H23N5O2 — CID 108797709

About N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 108797709) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
• PubChem CID: 108797709
• Molecular Formula: C25H23N5O2
• Molecular Weight: 425.49 g/mol
• Exact Mass: 425.19
• IUPAC Name: N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-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)c3ccccc3n2)n1
• InChI: InChI=1S/C25H23N5O2/c1-15-12-22(26-21-8-4-3-7-19(15)21)30-23(13-16(2)29-30)28-25(32)18-10-11-20-17(14-18)6-5-9-24(31)27-20/h3-4,7-8,10-14H,5-6,9H2,1-2H3,(H,27,31)(H,28,32)
• InChIKey: RIGUZUUPKRGPNT-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.49
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 108797709) is N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

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

The canonical SMILES for N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-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)c3ccccc3n2)n1.

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

The InChIKey is RIGUZUUPKRGPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-15-12-22(26-21-8-4-3-7-19(15)21)30-23(13-16(2)29-30)28-25(32)18-10-11-20-17(14-18)6-5-9-24(31)27-20/h3-4,7-8,10-14H,5-6,9H2,1-2H3,(H,27,31)(H,28,32).

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

N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.56, 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-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 108797709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).