N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide

C19H17FN2O2 — CID 39850863

IUPACN-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C19H17FN2O2/c1-2-22-12-16(18(23)15-10-14(20)8-9-17(15)22)19(24)21-11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,21,24)
InChIKeyKKGVEQCGGQSKTO-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.09
Rot. Bonds4

About N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide

N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide (PubChem CID 39850863) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
PubChem CID39850863
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C19H17FN2O2/c1-2-22-12-16(18(23)15-10-14(20)8-9-17(15)22)19(24)21-11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,21,24)
InChIKeyKKGVEQCGGQSKTO-UHFFFAOYSA-N
XLogP3.09
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859222
1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
CID 39850828
N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859368
1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 30132048
N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850888
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 39850819
N-(2,4-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850917
1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 39851051
N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide
CID 57343353
1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 39850839
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30131932

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide (CID 39850863) is N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)ccc21.
What is the InChIKey of N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The InChIKey is KKGVEQCGGQSKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-2-22-12-16(18(23)15-10-14(20)8-9-17(15)22)19(24)21-11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,21,24).
What are the key properties of N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide?
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 39850863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).