N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide

C20H23N3O2S — CID 120664348

IUPACN-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCN)Cc2ccccc2)c2cccnc12
InChIInChI=1S/C20H23N3O2S/c1-16-10-11-19(18-9-5-13-22-20(16)18)26(24,25)23(14-6-12-21)15-17-7-3-2-4-8-17/h2-5,7-11,13H,6,12,14-15,21H2,1H3
InChIKeyLATHJMOGXIOZJH-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.08
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide

N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide (PubChem CID 120664348) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide
PubChem CID120664348
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCN)Cc2ccccc2)c2cccnc12
InChIInChI=1S/C20H23N3O2S/c1-16-10-11-19(18-9-5-13-22-20(16)18)26(24,25)23(14-6-12-21)15-17-7-3-2-4-8-17/h2-5,7-11,13H,6,12,14-15,21H2,1H3
InChIKeyLATHJMOGXIOZJH-UHFFFAOYSA-N
XLogP3.08
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(p-Toluenesulfonylamino)quinoline
CID 82533
N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
1-(p-Toluenesulfonyl)tryptamine
CID 14571158
9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 16759925
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzene-1-sulfonamide
CID 24825382
N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzene-1-sulfonamide
CID 24825393
N-[4-(1H-indol-3-yl)butyl]-4-pentylbenzene-1-sulfonamide
CID 24825394

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide (CID 120664348) is N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)N(CCCN)Cc2ccccc2)c2cccnc12.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide?
The InChIKey is LATHJMOGXIOZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-16-10-11-19(18-9-5-13-22-20(16)18)26(24,25)23(14-6-12-21)15-17-7-3-2-4-8-17/h2-5,7-11,13H,6,12,14-15,21H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide?
N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 120664348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).