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

C31H31N7O2 — CID 90671594

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

2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxamide (PubChem CID 90671594) has the molecular formula C31H31N7O2 and a molecular weight of 533.64 g/mol. Its IUPAC name is 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-1-phenyl-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-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxamide
• PubChem CID: 90671594
• Molecular Formula: C31H31N7O2
• Molecular Weight: 533.64 g/mol
• Exact Mass: 533.25
• IUPAC Name: 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxamide
• SMILES: Cc1nn(-c2ccccc2)c(-n2ccnc2)c1C1C(C(N)=O)=C(N)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2
• InChI: InChI=1S/C31H31N7O2/c1-19-24(30(36-15-14-34-18-36)38(35-19)21-12-8-5-9-13-21)26-25-22(16-31(2,3)17-23(25)39)37(20-10-6-4-7-11-20)28(32)27(26)29(33)40/h4-15,18,26H,16-17,32H2,1-3H3,(H2,33,40)
• InChIKey: SFRKZQXJKGIEQE-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 125.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.64
LogP ≤ 5	4.27
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-5-oxo-1-phenyl-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-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxamide (CID 90671594) is 2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-1-phenyl-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-5-oxo-1-phenyl-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-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxamide is Cc1nn(-c2ccccc2)c(-n2ccnc2)c1C1C(C(N)=O)=C(N)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2.

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

The InChIKey is SFRKZQXJKGIEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N7O2/c1-19-24(30(36-15-14-34-18-36)38(35-19)21-12-8-5-9-13-21)26-25-22(16-31(2,3)17-23(25)39)37(20-10-6-4-7-11-20)28(32)27(26)29(33)40/h4-15,18,26H,16-17,32H2,1-3H3,(H2,33,40).

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

2-amino-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxamide has a molecular weight of 533.64 g/mol, XLogP of 4.27, 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-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carboxamide is sourced from PubChem (CID 90671594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).