2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide

C13H15N3O3S — CID 62152474

IUPAC2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C13H15N3O3S/c1-20(18,19)7-6-15-13(17)10-8-12(14)16-11-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyXDSWOZACWBSOGN-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.59
Rot. Bonds4

About 2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide

2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide (PubChem CID 62152474) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide
PubChem CID62152474
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C13H15N3O3S/c1-20(18,19)7-6-15-13(17)10-8-12(14)16-11-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyXDSWOZACWBSOGN-UHFFFAOYSA-N
XLogP0.59
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
CID 62155502
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770
2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
CID 63002970
2-amino-N-[2-(2-methoxyethoxy)ethyl]quinoline-4-carboxamide
CID 62160032
2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide
CID 115522077
2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide
CID 64643078
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide
CID 106280040
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
CID 63375138
2-amino-N,N-diethylquinoline-4-carboxamide
CID 62155871
2-amino-N-(2-methylphenyl)quinoline-4-carboxamide
CID 62154395
2-amino-N-ethyl-N-methylquinoline-4-carboxamide
CID 62154590

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide (CID 62152474) is 2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide is CS(=O)(=O)CCNC(=O)c1cc(N)nc2ccccc12.
What is the InChIKey of 2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide?
The InChIKey is XDSWOZACWBSOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-20(18,19)7-6-15-13(17)10-8-12(14)16-11-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide?
2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 62152474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).