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

C20H19FN2O2 — CID 39850888

IUPACN-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(C)c2C)c(=O)c2cc(F)ccc21
InChIInChI=1S/C20H19FN2O2/c1-4-23-11-16(19(24)15-10-14(21)8-9-18(15)23)20(25)22-17-7-5-6-12(2)13(17)3/h5-11H,4H2,1-3H3,(H,22,25)
InChIKeyPJGHWOWMBTWUIF-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.03
Rot. Bonds3

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

N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide (PubChem CID 39850888) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
PubChem CID39850888
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(C)c2C)c(=O)c2cc(F)ccc21
InChIInChI=1S/C20H19FN2O2/c1-4-23-11-16(19(24)15-10-14(21)8-9-18(15)23)20(25)22-17-7-5-6-12(2)13(17)3/h5-11H,4H2,1-3H3,(H,22,25)
InChIKeyPJGHWOWMBTWUIF-UHFFFAOYSA-N
XLogP4.03
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850917
1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
CID 39850828
1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 39851051
N-(2,5-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850934
N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39851001
N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133811
N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133240
N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133112
ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
CID 39850939
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 39850839
1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 39850819

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide (CID 39850888) is N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2cccc(C)c2C)c(=O)c2cc(F)ccc21.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The InChIKey is PJGHWOWMBTWUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-4-23-11-16(19(24)15-10-14(21)8-9-18(15)23)20(25)22-17-7-5-6-12(2)13(17)3/h5-11H,4H2,1-3H3,(H,22,25).
What are the key properties of N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide?
N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 39850888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).