N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide

C20H19FN2O4 — CID 39851001

IUPACN-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(OC)cc2OC)c(=O)c2cc(F)ccc21
InChIInChI=1S/C20H19FN2O4/c1-4-23-11-15(19(24)14-9-12(21)5-8-17(14)23)20(25)22-16-7-6-13(26-2)10-18(16)27-3/h5-11H,4H2,1-3H3,(H,22,25)
InChIKeyUXFMIRHVQVXFLI-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.43
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide

N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide (PubChem CID 39851001) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
PubChem CID39851001
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC NameN-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(OC)cc2OC)c(=O)c2cc(F)ccc21
InChIInChI=1S/C20H19FN2O4/c1-4-23-11-15(19(24)14-9-12(21)5-8-17(14)23)20(25)22-16-7-6-13(26-2)10-18(16)27-3/h5-11H,4H2,1-3H3,(H,22,25)
InChIKeyUXFMIRHVQVXFLI-UHFFFAOYSA-N
XLogP3.43
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850934
1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
CID 39850828
N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133112
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30132938
N-(2,4-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850917
N-(2,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 15992906
N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850888
N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133022
2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 62060818
1-ethyl-6-methoxy-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30132855
1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 42582572

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide (CID 39851001) is N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2ccc(OC)cc2OC)c(=O)c2cc(F)ccc21.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The InChIKey is UXFMIRHVQVXFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-4-23-11-15(19(24)14-9-12(21)5-8-17(14)23)20(25)22-16-7-6-13(26-2)10-18(16)27-3/h5-11H,4H2,1-3H3,(H,22,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide?
N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 39851001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).