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

C29H25FN2O2 — CID 3855331

IUPACN-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2F)C(c2ccccc2)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C29H25FN2O2/c1-18-26(29(34)32-23-15-9-8-14-22(23)30)27(20-12-6-3-7-13-20)28-24(31-18)16-21(17-25(28)33)19-10-4-2-5-11-19/h2-15,21,27,31H,16-17H2,1H3,(H,32,34)
InChIKeyNIHSWWDEHXAREF-UHFFFAOYSA-N
MW452.53 g/mol
LogP5.83
Rot. Bonds4

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

N-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 3855331) has the molecular formula C29H25FN2O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID3855331
Molecular FormulaC29H25FN2O2
Molecular Weight452.53 g/mol
Exact Mass452.19
IUPAC NameN-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2F)C(c2ccccc2)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C29H25FN2O2/c1-18-26(29(34)32-23-15-9-8-14-22(23)30)27(20-12-6-3-7-13-20)28-24(31-18)16-21(17-25(28)33)19-10-4-2-5-11-19/h2-15,21,27,31H,16-17H2,1H3,(H,32,34)
InChIKeyNIHSWWDEHXAREF-UHFFFAOYSA-N
XLogP5.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.53
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 3855331) is N-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2F)C(c2ccccc2)C2=C(CC(c3ccccc3)CC2=O)N1.
What is the InChIKey of N-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is NIHSWWDEHXAREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN2O2/c1-18-26(29(34)32-23-15-9-8-14-22(23)30)27(20-12-6-3-7-13-20)28-24(31-18)16-21(17-25(28)33)19-10-4-2-5-11-19/h2-15,21,27,31H,16-17H2,1H3,(H,32,34).
What are the key properties of N-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3855331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).