1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide

C19H29N3O3S — CID 43064866

IUPAC1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCC(CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)N1CCCC1
InChIInChI=1S/C19H29N3O3S/c1-3-17(21-10-4-5-11-21)14-20-19(23)16-8-9-18-15(13-16)7-6-12-22(18)26(2,24)25/h8-9,13,17H,3-7,10-12,14H2,1-2H3,(H,20,23)
InChIKeyREUDPIGBPGVFDG-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.00
Rot. Bonds6

About 1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide

1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 43064866) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID43064866
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCC(CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)N1CCCC1
InChIInChI=1S/C19H29N3O3S/c1-3-17(21-10-4-5-11-21)14-20-19(23)16-8-9-18-15(13-16)7-6-12-22(18)26(2,24)25/h8-9,13,17H,3-7,10-12,14H2,1-2H3,(H,20,23)
InChIKeyREUDPIGBPGVFDG-UHFFFAOYSA-N
XLogP2.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Related Compounds

N-(3-amino-2-methylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119995968
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86980901
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119501128
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 24640146
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 30527592
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119501127
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985
N-[(2R)-2-(ethylamino)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 120652193
1-methylsulfonyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8894179
2-methyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119237207
N-[4-(4-ethylpiperazin-1-yl)butyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78871163
N-[(3-bromophenyl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78851863

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide (CID 43064866) is 1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide is CCC(CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)N1CCCC1.
What is the InChIKey of 1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is REUDPIGBPGVFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-3-17(21-10-4-5-11-21)14-20-19(23)16-8-9-18-15(13-16)7-6-12-22(18)26(2,24)25/h8-9,13,17H,3-7,10-12,14H2,1-2H3,(H,20,23).
What are the key properties of 1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 43064866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).