N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide

C19H18N4O2S — CID 90556457

IUPACN-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide
SMILESO=S(=O)(NCCCn1ccc2cccnc21)c1cccc2cccnc12
InChIInChI=1S/C19H18N4O2S/c24-26(25,17-8-1-5-15-6-2-10-20-18(15)17)22-12-4-13-23-14-9-16-7-3-11-21-19(16)23/h1-3,5-11,14,22H,4,12-13H2
InChIKeyONMHNRZHUGABCK-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.95
Rot. Bonds6

About N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide

N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide (PubChem CID 90556457) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide
PubChem CID90556457
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide
SMILESO=S(=O)(NCCCn1ccc2cccnc21)c1cccc2cccnc12
InChIInChI=1S/C19H18N4O2S/c24-26(25,17-8-1-5-15-6-2-10-20-18(15)17)22-12-4-13-23-14-9-16-7-3-11-21-19(16)23/h1-3,5-11,14,22H,4,12-13H2
InChIKeyONMHNRZHUGABCK-UHFFFAOYSA-N
XLogP2.95
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzenesulfonamide
CID 90556477
N-butylquinoline-8-sulfonamide
CID 2068304
N-[4-(3-pyrrolo[2,3-b]pyridin-1-ylpropylsulfamoyl)phenyl]acetamide
CID 90556439
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-8-sulfonamide;hydrochloride
CID 21091970
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]quinoline-8-sulfonamide
CID 21092409
N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
CID 22205174
N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]quinoline-8-sulfonamide
CID 122308122
N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide
CID 4619893
1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine
CID 59595069

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide?
The IUPAC name of N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide (CID 90556457) is N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide is O=S(=O)(NCCCn1ccc2cccnc21)c1cccc2cccnc12.
What is the InChIKey of N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide?
The InChIKey is ONMHNRZHUGABCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-26(25,17-8-1-5-15-6-2-10-20-18(15)17)22-12-4-13-23-14-9-16-7-3-11-21-19(16)23/h1-3,5-11,14,22H,4,12-13H2.
What are the key properties of N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide?
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide has a molecular weight of 366.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide is sourced from PubChem (CID 90556457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).