1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline

C18H28N2O4S — CID 110613103

IUPAC1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
SMILESCOCCOCCS(=O)(=O)N1CCCc2ccc(N3CCCC3)cc21
InChIInChI=1S/C18H28N2O4S/c1-23-11-12-24-13-14-25(21,22)20-10-4-5-16-6-7-17(15-18(16)20)19-8-2-3-9-19/h6-7,15H,2-5,8-14H2,1H3
InChIKeyBUDMRESZCRUWSN-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.03
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline

1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline (PubChem CID 110613103) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
PubChem CID110613103
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
SMILESCOCCOCCS(=O)(=O)N1CCCc2ccc(N3CCCC3)cc21
InChIInChI=1S/C18H28N2O4S/c1-23-11-12-24-13-14-25(21,22)20-10-4-5-16-6-7-17(15-18(16)20)19-8-2-3-9-19/h6-7,15H,2-5,8-14H2,1H3
InChIKeyBUDMRESZCRUWSN-UHFFFAOYSA-N
XLogP2.03
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine
CID 110634521
1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
CID 110359639
1-(2-methoxyethylsulfonyl)-6-propan-2-yl-2,3-dihydroindole
CID 176666425
2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide
CID 110613184
1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
CID 110749885
1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine
CID 69086607
1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661427
6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 91956362
1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315931
1-(5-ethylthiophen-2-yl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315939
(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110359620
2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27636751

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline (CID 110613103) is 1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline is COCCOCCS(=O)(=O)N1CCCc2ccc(N3CCCC3)cc21.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
The InChIKey is BUDMRESZCRUWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-23-11-12-24-13-14-25(21,22)20-10-4-5-16-6-7-17(15-18(16)20)19-8-2-3-9-19/h6-7,15H,2-5,8-14H2,1H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline?
1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline has a molecular weight of 368.50 g/mol, XLogP of 2.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethylsulfonyl]-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110613103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).