N,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C29H24F2N2O2 — CID 3868490

IUPACN,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccc(F)cc2)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C29H24F2N2O2/c1-17-26(29(35)33-23-13-11-22(31)12-14-23)27(19-7-9-21(30)10-8-19)28-24(32-17)15-20(16-25(28)34)18-5-3-2-4-6-18/h2-14,20,27,32H,15-16H2,1H3,(H,33,35)
InChIKeyVKSRYSXIRVMVOM-UHFFFAOYSA-N
MW470.52 g/mol
LogP5.97
Rot. Bonds4

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

N,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 3868490) has the molecular formula C29H24F2N2O2 and a molecular weight of 470.52 g/mol. Its IUPAC name is N,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID3868490
Molecular FormulaC29H24F2N2O2
Molecular Weight470.52 g/mol
Exact Mass470.18
IUPAC NameN,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccc(F)cc2)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C29H24F2N2O2/c1-17-26(29(35)33-23-13-11-22(31)12-14-23)27(19-7-9-21(30)10-8-19)28-24(32-17)15-20(16-25(28)34)18-5-3-2-4-6-18/h2-14,20,27,32H,15-16H2,1H3,(H,33,35)
InChIKeyVKSRYSXIRVMVOM-UHFFFAOYSA-N
XLogP5.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 3868490) is N,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccc(F)cc2)C2=C(CC(c3ccccc3)CC2=O)N1.
What is the InChIKey of N,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is VKSRYSXIRVMVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N2O2/c1-17-26(29(35)33-23-13-11-22(31)12-14-23)27(19-7-9-21(30)10-8-19)28-24(32-17)15-20(16-25(28)34)18-5-3-2-4-6-18/h2-14,20,27,32H,15-16H2,1H3,(H,33,35).
What are the key properties of N,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-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,4-bis(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3868490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).