4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide

C14H17N3O3S — CID 63375138

IUPAC4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C14H17N3O3S/c1-21(19,20)8-4-7-16-14(18)13-9-11(15)10-5-2-3-6-12(10)17-13/h2-3,5-6,9H,4,7-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyXMRGQFOOMZGZFM-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.98
Rot. Bonds5

About 4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide

4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide (PubChem CID 63375138) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
PubChem CID63375138
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Name4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C14H17N3O3S/c1-21(19,20)8-4-7-16-14(18)13-9-11(15)10-5-2-3-6-12(10)17-13/h2-3,5-6,9H,4,7-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyXMRGQFOOMZGZFM-UHFFFAOYSA-N
XLogP0.98
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminoquinolin-2-yl)-4-methylsulfonylbutan-1-one
CID 116603555
4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide
CID 63375414
4-amino-N-[2-(methylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 63375489
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]quinoline-2-carboxamide
CID 63375694
4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115751977
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide
CID 62152474
4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide
CID 63375458
4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide
CID 103843001
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide
CID 106384946

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide (CID 63375138) is 4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide is CS(=O)(=O)CCCNC(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide?
The InChIKey is XMRGQFOOMZGZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-21(19,20)8-4-7-16-14(18)13-9-11(15)10-5-2-3-6-12(10)17-13/h2-3,5-6,9H,4,7-8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide?
4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide is sourced from PubChem (CID 63375138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).