2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide

C32H33N7O2 — CID 90671585

About 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide

2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide (PubChem CID 90671585) has the molecular formula C32H33N7O2 and a molecular weight of 547.66 g/mol. Its IUPAC name is 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide
• PubChem CID: 90671585
• Molecular Formula: C32H33N7O2
• Molecular Weight: 547.66 g/mol
• Exact Mass: 547.27
• IUPAC Name: 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide
• SMILES: Cc1ccc(N2C(N)=C(C(N)=O)C(c3c(C)nn(-c4ccccc4)c3-n3ccnc3)C3=C2CC(C)(C)CC3=O)cc1
• InChI: InChI=1S/C32H33N7O2/c1-19-10-12-21(13-11-19)38-23-16-32(3,4)17-24(40)26(23)27(28(29(38)33)30(34)41)25-20(2)36-39(22-8-6-5-7-9-22)31(25)37-15-14-35-18-37/h5-15,18,27H,16-17,33H2,1-4H3,(H2,34,41)
• InChIKey: HEERNIMHZSNPCJ-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 125.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.66
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?

The IUPAC name of 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide (CID 90671585) is 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide.

What is the SMILES notation for 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?

The canonical SMILES for 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide is Cc1ccc(N2C(N)=C(C(N)=O)C(c3c(C)nn(-c4ccccc4)c3-n3ccnc3)C3=C2CC(C)(C)CC3=O)cc1.

What is the InChIKey of 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?

The InChIKey is HEERNIMHZSNPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O2/c1-19-10-12-21(13-11-19)38-23-16-32(3,4)17-24(40)26(23)27(28(29(38)33)30(34)41)25-20(2)36-39(22-8-6-5-7-9-22)31(25)37-15-14-35-18-37/h5-15,18,27H,16-17,33H2,1-4H3,(H2,34,41).

What are the key properties of 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide?

2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide has a molecular weight of 547.66 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carboxamide is sourced from PubChem (CID 90671585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).