N-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide

C24H17F3N2O3 — CID 90644862

IUPACN-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)Nc3c(F)cc(-c4cccc(F)c4)cc3F)c(C)c(=O)c2c1
InChIInChI=1S/C24H17F3N2O3/c1-12-21(28-20-7-6-16(32-2)11-17(20)23(12)30)24(31)29-22-18(26)9-14(10-19(22)27)13-4-3-5-15(25)8-13/h3-11H,1-2H3,(H,28,30)(H,29,31)
InChIKeyGRPASKXGJGFMFC-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.18
Rot. Bonds4

About N-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide

N-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 90644862) has the molecular formula C24H17F3N2O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is N-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide
PubChem CID90644862
Molecular FormulaC24H17F3N2O3
Molecular Weight438.41 g/mol
Exact Mass438.12
IUPAC NameN-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)Nc3c(F)cc(-c4cccc(F)c4)cc3F)c(C)c(=O)c2c1
InChIInChI=1S/C24H17F3N2O3/c1-12-21(28-20-7-6-16(32-2)11-17(20)23(12)30)24(31)29-22-18(26)9-14(10-19(22)27)13-4-3-5-15(25)8-13/h3-11H,1-2H3,(H,28,30)(H,29,31)
InChIKeyGRPASKXGJGFMFC-UHFFFAOYSA-N
XLogP5.18
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of N-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide (CID 90644862) is N-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for N-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide is COc1ccc2[nH]c(C(=O)Nc3c(F)cc(-c4cccc(F)c4)cc3F)c(C)c(=O)c2c1.
What is the InChIKey of N-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is GRPASKXGJGFMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3/c1-12-21(28-20-7-6-16(32-2)11-17(20)23(12)30)24(31)29-22-18(26)9-14(10-19(22)27)13-4-3-5-15(25)8-13/h3-11H,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide?
N-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-difluoro-4-(3-fluorophenyl)phenyl]-6-methoxy-3-methyl-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 90644862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).