N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide

C17H24ClN3O2S — CID 42743703

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H24ClN3O2S/c1-3-4-12-24(22,23)21(2)11-5-9-19-16-8-10-20-17-13-14(18)6-7-15(16)17/h6-8,10,13H,3-5,9,11-12H2,1-2H3,(H,19,20)
InChIKeyGATRQFVCWCSBHE-UHFFFAOYSA-N
MW369.92 g/mol
LogP3.75
Rot. Bonds9

About N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide (PubChem CID 42743703) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide
PubChem CID42743703
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H24ClN3O2S/c1-3-4-12-24(22,23)21(2)11-5-9-19-16-8-10-20-17-13-14(18)6-7-15(16)17/h6-8,10,13H,3-5,9,11-12H2,1-2H3,(H,19,20)
InChIKeyGATRQFVCWCSBHE-UHFFFAOYSA-N
XLogP3.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide (CID 42743703) is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide is CCCCS(=O)(=O)N(C)CCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide?
The InChIKey is GATRQFVCWCSBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2S/c1-3-4-12-24(22,23)21(2)11-5-9-19-16-8-10-20-17-13-14(18)6-7-15(16)17/h6-8,10,13H,3-5,9,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide?
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide has a molecular weight of 369.92 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 42743703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).