1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide

C19H19N3O2 — CID 30132048

IUPAC1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccncc2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C19H19N3O2/c1-3-22-12-16(18(23)15-10-13(2)4-5-17(15)22)19(24)21-11-14-6-8-20-9-7-14/h4-10,12H,3,11H2,1-2H3,(H,21,24)
InChIKeyBPRHELDKDAGJSH-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.65
Rot. Bonds4

About 1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide

1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide (PubChem CID 30132048) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
PubChem CID30132048
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccncc2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C19H19N3O2/c1-3-22-12-16(18(23)15-10-13(2)4-5-17(15)22)19(24)21-11-14-6-8-20-9-7-14/h4-10,12H,3,11H2,1-2H3,(H,21,24)
InChIKeyBPRHELDKDAGJSH-UHFFFAOYSA-N
XLogP2.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
ethyl 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate
CID 143904177
N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859222
6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 30132214
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-6-methyl-4-oxoquinoline-3-carboxamide
CID 30132118
N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane
CID 142006209
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
N-(2,4-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850917
1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide
CID 30132114
6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859368

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide (CID 30132048) is 1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide is CCn1cc(C(=O)NCc2ccncc2)c(=O)c2cc(C)ccc21.
What is the InChIKey of 1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide?
The InChIKey is BPRHELDKDAGJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-22-12-16(18(23)15-10-13(2)4-5-17(15)22)19(24)21-11-14-6-8-20-9-7-14/h4-10,12H,3,11H2,1-2H3,(H,21,24).
What are the key properties of 1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide?
1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 30132048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).