5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide

C15H19N3O2S — CID 104850505

IUPAC5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide
SMILESC=CCN(CCC)S(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C15H19N3O2S/c1-3-10-18(11-4-2)21(19,20)14-8-7-13(16)12-6-5-9-17-15(12)14/h3,5-9H,1,4,10-11,16H2,2H3
InChIKeyUYWNLXPTWLXYAL-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.40
Rot. Bonds6

About 5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide

5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide (PubChem CID 104850505) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide.

Molecular Properties

Compound Name5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide
PubChem CID104850505
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide
SMILESC=CCN(CCC)S(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C15H19N3O2S/c1-3-10-18(11-4-2)21(19,20)14-8-7-13(16)12-6-5-9-17-15(12)14/h3,5-9H,1,4,10-11,16H2,2H3
InChIKeyUYWNLXPTWLXYAL-UHFFFAOYSA-N
XLogP2.40
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-butyl-N-ethylquinoline-8-sulfonamide
CID 104850310
5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide
CID 104850383
N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide
CID 114795839
8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide
CID 671601
N,N-bis(prop-2-enyl)quinoline-8-sulfonamide
CID 3546701
5-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-8-sulfonamide
CID 104850488
5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide
CID 104850286
5-propylsulfonylquinolin-8-amine
CID 43449396
ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate
CID 52708492
8-[(dibutylamino)methyl]quinolin-5-amine
CID 43375839
N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide
CID 23392955
methyl 3-[(5-aminoquinolin-8-yl)sulfonylamino]propanoate
CID 104850376

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide?
The IUPAC name of 5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide (CID 104850505) is 5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide.
What is the SMILES notation for 5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide?
The canonical SMILES for 5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide is C=CCN(CCC)S(=O)(=O)c1ccc(N)c2cccnc12.
What is the InChIKey of 5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide?
The InChIKey is UYWNLXPTWLXYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-10-18(11-4-2)21(19,20)14-8-7-13(16)12-6-5-9-17-15(12)14/h3,5-9H,1,4,10-11,16H2,2H3.
What are the key properties of 5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide?
5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-prop-2-enyl-N-propylquinoline-8-sulfonamide is sourced from PubChem (CID 104850505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).