3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide

C15H21N3O2S — CID 62663890

IUPAC3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCCNC(C)C)cccc2c1
InChIInChI=1S/C15H21N3O2S/c1-11(2)16-7-8-18-21(19,20)14-6-4-5-13-9-12(3)10-17-15(13)14/h4-6,9-11,16,18H,7-8H2,1-3H3
InChIKeyQAMQGTYEWSQKSX-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.82
Rot. Bonds6

About 3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide

3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide (PubChem CID 62663890) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
PubChem CID62663890
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCCNC(C)C)cccc2c1
InChIInChI=1S/C15H21N3O2S/c1-11(2)16-7-8-18-21(19,20)14-6-4-5-13-9-12(3)10-17-15(13)14/h4-6,9-11,16,18H,7-8H2,1-3H3
InChIKeyQAMQGTYEWSQKSX-UHFFFAOYSA-N
XLogP1.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 106844087
3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide
CID 113236576
N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride
CID 120717516
3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide
CID 126770392
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide
CID 53498011
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide
CID 103836890
4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid
CID 120660685
3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide
CID 46518023
3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide
CID 36530929

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide (CID 62663890) is 3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NCCNC(C)C)cccc2c1.
What is the InChIKey of 3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide?
The InChIKey is QAMQGTYEWSQKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11(2)16-7-8-18-21(19,20)14-6-4-5-13-9-12(3)10-17-15(13)14/h4-6,9-11,16,18H,7-8H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide?
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 62663890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).