1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline

C14H20N2O2S — CID 110359639

IUPAC1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
SMILESCS(=O)(=O)N1CCCc2ccc(N3CCCC3)cc21
InChIInChI=1S/C14H20N2O2S/c1-19(17,18)16-10-4-5-12-6-7-13(11-14(12)16)15-8-2-3-9-15/h6-7,11H,2-5,8-10H2,1H3
InChIKeyHXNHPCAHUOYGOG-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.00
Rot. Bonds2

About 1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline

1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline (PubChem CID 110359639) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
PubChem CID110359639
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
SMILESCS(=O)(=O)N1CCCc2ccc(N3CCCC3)cc21
InChIInChI=1S/C14H20N2O2S/c1-19(17,18)16-10-4-5-12-6-7-13(11-14(12)16)15-8-2-3-9-15/h6-7,11H,2-5,8-10H2,1H3
InChIKeyHXNHPCAHUOYGOG-UHFFFAOYSA-N
XLogP2.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)isoindole-1,3-dione
CID 168517307
1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
CID 110613103
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)formamide
CID 168653982
1-(5-ethylthiophen-2-yl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315939
6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 19785606
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7517975
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
CID 7517976
1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315931
N-(cyclopentylsulfamoyl)-1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 110622796
N-(3-hydroxypropyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7688066
4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517962

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline (CID 110359639) is 1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline is CS(=O)(=O)N1CCCc2ccc(N3CCCC3)cc21.
What is the InChIKey of 1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
The InChIKey is HXNHPCAHUOYGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-19(17,18)16-10-4-5-12-6-7-13(11-14(12)16)15-8-2-3-9-15/h6-7,11H,2-5,8-10H2,1H3.
What are the key properties of 1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline has a molecular weight of 280.39 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110359639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).