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

C18H16FN3O2 — CID 39851051

IUPAC1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ncccc2C)c(=O)c2cc(F)ccc21
InChIInChI=1S/C18H16FN3O2/c1-3-22-10-14(16(23)13-9-12(19)6-7-15(13)22)18(24)21-17-11(2)5-4-8-20-17/h4-10H,3H2,1-2H3,(H,20,21,24)
InChIKeyLKSXMGKFDGWNJR-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.12
Rot. Bonds3

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

1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide (PubChem CID 39851051) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
PubChem CID39851051
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ncccc2C)c(=O)c2cc(F)ccc21
InChIInChI=1S/C18H16FN3O2/c1-3-22-10-14(16(23)13-9-12(19)6-7-15(13)22)18(24)21-17-11(2)5-4-8-20-17/h4-10H,3H2,1-2H3,(H,20,21,24)
InChIKeyLKSXMGKFDGWNJR-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850888
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-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 39850839
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-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 39850819
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
4-amino-1-ethyl-N-(3-methyl-2-pyridinyl)pyrrole-2-carboxamide
CID 43643038
N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133811
N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133112

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide (CID 39851051) is 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2ncccc2C)c(=O)c2cc(F)ccc21.
What is the InChIKey of 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is LKSXMGKFDGWNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-3-22-10-14(16(23)13-9-12(19)6-7-15(13)22)18(24)21-17-11(2)5-4-8-20-17/h4-10H,3H2,1-2H3,(H,20,21,24).
What are the key properties of 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide?
1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 39851051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).