2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide

C14H17N3O3S — CID 64643078

IUPAC2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C14H17N3O3S/c1-9(8-21(2,19)20)16-14(18)11-7-13(15)17-12-6-4-3-5-10(11)12/h3-7,9H,8H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyXUFDXIAILUOFHN-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.98
Rot. Bonds4

About 2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide

2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide (PubChem CID 64643078) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide
PubChem CID64643078
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C14H17N3O3S/c1-9(8-21(2,19)20)16-14(18)11-7-13(15)17-12-6-4-3-5-10(11)12/h3-7,9H,8H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyXUFDXIAILUOFHN-UHFFFAOYSA-N
XLogP0.98
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide
CID 62152474
2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide
CID 65053035
2-amino-N-hexan-3-ylquinoline-4-carboxamide
CID 62160815
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770
2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
CID 62155502
2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
CID 63002970
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 106218026
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
2-amino-N-ethyl-N-propan-2-ylquinoline-4-carboxamide
CID 62154240
2-amino-N-(2-methylphenyl)quinoline-4-carboxamide
CID 62154395

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide (CID 64643078) is 2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide is CC(CS(C)(=O)=O)NC(=O)c1cc(N)nc2ccccc12.
What is the InChIKey of 2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide?
The InChIKey is XUFDXIAILUOFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9(8-21(2,19)20)16-14(18)11-7-13(15)17-12-6-4-3-5-10(11)12/h3-7,9H,8H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide?
2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 64643078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).