2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide

C24H22ClFN2O3S — CID 59053995

IUPAC2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide
SMILESCC1(c2ccccc2)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)NS(C)(=O)=O)cc21
InChIInChI=1S/C24H22ClFN2O3S/c1-24(17-6-4-3-5-7-17)14-22(15-8-10-20(26)19(25)13-15)27-21-11-9-16(12-18(21)24)23(29)28-32(2,30)31/h3-13,22,27H,14H2,1-2H3,(H,28,29)
InChIKeyFZBNQPMTZXOFKK-UHFFFAOYSA-N
MW472.97 g/mol
LogP5.03
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide

2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide (PubChem CID 59053995) has the molecular formula C24H22ClFN2O3S and a molecular weight of 472.97 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide
PubChem CID59053995
Molecular FormulaC24H22ClFN2O3S
Molecular Weight472.97 g/mol
Exact Mass472.10
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide
SMILESCC1(c2ccccc2)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)NS(C)(=O)=O)cc21
InChIInChI=1S/C24H22ClFN2O3S/c1-24(17-6-4-3-5-7-17)14-22(15-8-10-20(26)19(25)13-15)27-21-11-9-16(12-18(21)24)23(29)28-32(2,30)31/h3-13,22,27H,14H2,1-2H3,(H,28,29)
InChIKeyFZBNQPMTZXOFKK-UHFFFAOYSA-N
XLogP5.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.97
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide (CID 59053995) is 2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide is CC1(c2ccccc2)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)NS(C)(=O)=O)cc21.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is FZBNQPMTZXOFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O3S/c1-24(17-6-4-3-5-7-17)14-22(15-8-10-20(26)19(25)13-15)27-21-11-9-16(12-18(21)24)23(29)28-32(2,30)31/h3-13,22,27H,14H2,1-2H3,(H,28,29).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide?
2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 472.97 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-methyl-N-methylsulfonyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 59053995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).