N-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide

C20H18F2N2O3 — CID 70128801

IUPACN-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCCc1c(C)ccc2[nH]c(=O)c(C(=O)N(C)c3ccc(F)cc3F)c(O)c12
InChIInChI=1S/C20H18F2N2O3/c1-4-12-10(2)5-7-14-16(12)18(25)17(19(26)23-14)20(27)24(3)15-8-6-11(21)9-13(15)22/h5-9H,4H2,1-3H3,(H2,23,25,26)
InChIKeyMXWGPYWFVBGXJI-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.66
Rot. Bonds3

About N-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide

N-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 70128801) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID70128801
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC NameN-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCCc1c(C)ccc2[nH]c(=O)c(C(=O)N(C)c3ccc(F)cc3F)c(O)c12
InChIInChI=1S/C20H18F2N2O3/c1-4-12-10(2)5-7-14-16(12)18(25)17(19(26)23-14)20(27)24(3)15-8-6-11(21)9-13(15)22/h5-9H,4H2,1-3H3,(H2,23,25,26)
InChIKeyMXWGPYWFVBGXJI-UHFFFAOYSA-N
XLogP3.66
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide (CID 70128801) is N-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide is CCc1c(C)ccc2[nH]c(=O)c(C(=O)N(C)c3ccc(F)cc3F)c(O)c12.
What is the InChIKey of N-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MXWGPYWFVBGXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c1-4-12-10(2)5-7-14-16(12)18(25)17(19(26)23-14)20(27)24(3)15-8-6-11(21)9-13(15)22/h5-9H,4H2,1-3H3,(H2,23,25,26).
What are the key properties of N-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide?
N-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 372.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-ethyl-4-hydroxy-N,6-dimethyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 70128801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).