6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide

C14H15FN2O3 — CID 30133154

IUPAC6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCOCCNC(=O)c1cn(C)c2ccc(F)cc2c1=O
InChIInChI=1S/C14H15FN2O3/c1-17-8-11(14(19)16-5-6-20-2)13(18)10-7-9(15)3-4-12(10)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)
InChIKeyYZTRGBLJOMLGMI-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.05
Rot. Bonds4

About 6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide

6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 30133154) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID30133154
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCOCCNC(=O)c1cn(C)c2ccc(F)cc2c1=O
InChIInChI=1S/C14H15FN2O3/c1-17-8-11(14(19)16-5-6-20-2)13(18)10-7-9(15)3-4-12(10)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)
InChIKeyYZTRGBLJOMLGMI-UHFFFAOYSA-N
XLogP1.05
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133148
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220
5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide
CID 172654547
6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
CID 30133417
1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133240
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 46976195
6-fluoro-1-methyl-3-(morpholine-4-carbonyl)quinolin-4-one
CID 30133338
6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133854
1-acetyl-5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]indole-3-carboxamide
CID 113212396
N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859084

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide (CID 30133154) is 6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide is COCCNC(=O)c1cn(C)c2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is YZTRGBLJOMLGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-17-8-11(14(19)16-5-6-20-2)13(18)10-7-9(15)3-4-12(10)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,19).
What are the key properties of 6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide?
6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30133154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).