2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide

C14H17N3O2S — CID 115650076

IUPAC2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)NCCS(C)=O)c2ccccc2n1
InChIInChI=1S/C14H17N3O2S/c1-15-13-9-11(14(18)16-7-8-20(2)19)10-5-3-4-6-12(10)17-13/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySHCOLJCWOKJUFO-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.38
Rot. Bonds5

About 2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide

2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide (PubChem CID 115650076) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide
PubChem CID115650076
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)NCCS(C)=O)c2ccccc2n1
InChIInChI=1S/C14H17N3O2S/c1-15-13-9-11(14(18)16-7-8-20(2)19)10-5-3-4-6-12(10)17-13/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySHCOLJCWOKJUFO-UHFFFAOYSA-N
XLogP1.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042
1-(methylamino)-N-(2-methylsulfinylethyl)isoquinoline-4-carboxamide
CID 106772837
N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide
CID 62241412
1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
CID 115633303
2-hydrazinyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 62235922
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 62165979
N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide
CID 62170948
N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide
CID 103718280
N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide
CID 62181643
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide
CID 64688497

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide (CID 115650076) is 2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide is CNc1cc(C(=O)NCCS(C)=O)c2ccccc2n1.
What is the InChIKey of 2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide?
The InChIKey is SHCOLJCWOKJUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-15-13-9-11(14(18)16-7-8-20(2)19)10-5-3-4-6-12(10)17-13/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide?
2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 115650076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).