N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C25H28N4O3 — CID 56559637

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56559637) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56559637
• Molecular Formula: C25H28N4O3
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.22
• IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O
• InChI: InChI=1S/C25H28N4O3/c1-15-20(16(2)29(27-15)17-9-7-6-8-10-17)14-28(5)24(32)19-11-18-21(26-23(19)31)12-25(3,4)13-22(18)30/h6-11H,12-14H2,1-5H3,(H,26,31)
• InChIKey: KQBQPMAPQPQUIC-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 88.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56559637) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O.

What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The InChIKey is KQBQPMAPQPQUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-15-20(16(2)29(27-15)17-9-7-6-8-10-17)14-28(5)24(32)19-11-18-21(26-23(19)31)12-25(3,4)13-22(18)30/h6-11H,12-14H2,1-5H3,(H,26,31).

What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56559637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).