N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C29H24F2N2O2 — CID 2900101

About N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 2900101) has the molecular formula C29H24F2N2O2 and a molecular weight of 470.52 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 2900101
• Molecular Formula: C29H24F2N2O2
• Molecular Weight: 470.52 g/mol
• Exact Mass: 470.18
• IUPAC Name: N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: CC1=C(C(=O)Nc2c(F)cccc2F)C(c2ccccc2)C2=C(CC(c3ccccc3)CC2=O)N1
• InChI: InChI=1S/C29H24F2N2O2/c1-17-25(29(35)33-28-21(30)13-8-14-22(28)31)26(19-11-6-3-7-12-19)27-23(32-17)15-20(16-24(27)34)18-9-4-2-5-10-18/h2-14,20,26,32H,15-16H2,1H3,(H,33,35)
• InChIKey: OKNRQGVOSVGBKJ-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.52
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The IUPAC name of N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 2900101) is N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2c(F)cccc2F)C(c2ccccc2)C2=C(CC(c3ccccc3)CC2=O)N1.

What is the InChIKey of N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The InChIKey is OKNRQGVOSVGBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N2O2/c1-17-25(29(35)33-28-21(30)13-8-14-22(28)31)26(19-11-6-3-7-12-19)27-23(32-17)15-20(16-24(27)34)18-9-4-2-5-10-18/h2-14,20,26,32H,15-16H2,1H3,(H,33,35).

What are the key properties of N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 470.52 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 2900101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).