N-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide

C21H19ClN4O2S — CID 44544575

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCCCNc1ccnc2cc(Cl)ccc12)c1cccc2cccnc12
InChIInChI=1S/C21H19ClN4O2S/c22-16-7-8-17-18(9-13-24-19(17)14-16)23-11-3-12-26-29(27,28)20-6-1-4-15-5-2-10-25-21(15)20/h1-2,4-10,13-14,26H,3,11-12H2,(H,23,24)
InChIKeyVJNPESMLEMTMIT-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.22
Rot. Bonds7

About N-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide (PubChem CID 44544575) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide
PubChem CID44544575
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCCCNc1ccnc2cc(Cl)ccc12)c1cccc2cccnc12
InChIInChI=1S/C21H19ClN4O2S/c22-16-7-8-17-18(9-13-24-19(17)14-16)23-11-3-12-26-29(27,28)20-6-1-4-15-5-2-10-25-21(15)20/h1-2,4-10,13-14,26H,3,11-12H2,(H,23,24)
InChIKeyVJNPESMLEMTMIT-UHFFFAOYSA-N
XLogP4.22
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide (CID 44544575) is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide is O=S(=O)(NCCCNc1ccnc2cc(Cl)ccc12)c1cccc2cccnc12.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide?
The InChIKey is VJNPESMLEMTMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c22-16-7-8-17-18(9-13-24-19(17)14-16)23-11-3-12-26-29(27,28)20-6-1-4-15-5-2-10-25-21(15)20/h1-2,4-10,13-14,26H,3,11-12H2,(H,23,24).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide?
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide has a molecular weight of 426.93 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide is sourced from PubChem (CID 44544575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).