N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide

C20H27N3O3S — CID 51289202

IUPACN,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCc3cccc(C)c32)n(C)c1
InChIInChI=1S/C20H27N3O3S/c1-5-22(6-2)27(25,26)17-13-18(21(4)14-17)20(24)23-12-8-11-16-10-7-9-15(3)19(16)23/h7,9-10,13-14H,5-6,8,11-12H2,1-4H3
InChIKeyHVJZBWCVSLMYCI-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.96
Rot. Bonds5

About N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide

N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 51289202) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID51289202
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCc3cccc(C)c32)n(C)c1
InChIInChI=1S/C20H27N3O3S/c1-5-22(6-2)27(25,26)17-13-18(21(4)14-17)20(24)23-12-8-11-16-10-7-9-15(3)19(16)23/h7,9-10,13-14H,5-6,8,11-12H2,1-4H3
InChIKeyHVJZBWCVSLMYCI-UHFFFAOYSA-N
XLogP2.96
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide with MolForge

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Related Compounds

(4-amino-1-ethylpyrrol-2-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61113186
5-(7-ethyl-2,3-dihydroindole-1-carbonyl)-1-methylpyrrole-3-sulfonamide
CID 138994394
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
3,4-dihydro-2H-quinolin-1-yl-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone
CID 6625642
N,N-diethyl-1-(3-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435425
(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951713
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide
CID 16602020
1-(2,5-dimethylbenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435480
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61290980
(5-bromo-2-fluorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60704859

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide (CID 51289202) is N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCc3cccc(C)c32)n(C)c1.
What is the InChIKey of N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is HVJZBWCVSLMYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-5-22(6-2)27(25,26)17-13-18(21(4)14-17)20(24)23-12-8-11-16-10-7-9-15(3)19(16)23/h7,9-10,13-14H,5-6,8,11-12H2,1-4H3.
What are the key properties of N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide?
N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 389.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methyl-5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 51289202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).