1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline

C12H17NO3S — CID 110749885

IUPAC1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
SMILESCCS(=O)(=O)N1CCCc2ccc(OC)cc21
InChIInChI=1S/C12H17NO3S/c1-3-17(14,15)13-8-4-5-10-6-7-11(16-2)9-12(10)13/h6-7,9H,3-5,8H2,1-2H3
InChIKeyHDLZNNRRMXMPKV-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.80
Rot. Bonds3

About 1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline

1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline (PubChem CID 110749885) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
PubChem CID110749885
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
SMILESCCS(=O)(=O)N1CCCc2ccc(OC)cc21
InChIInChI=1S/C12H17NO3S/c1-3-17(14,15)13-8-4-5-10-6-7-11(16-2)9-12(10)13/h6-7,9H,3-5,8H2,1-2H3
InChIKeyHDLZNNRRMXMPKV-UHFFFAOYSA-N
XLogP1.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline
CID 110749898
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 20963062
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
CID 43990576
1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 86703343
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 27656111
4-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963050
4-ethyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963035
4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517962
1-butylsulfonyl-5-methoxy-2,3-dihydroindole
CID 110714111
4-methoxy-N-(4-methoxyphenyl)sulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 162671172
4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline
CID 175211825
1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
CID 71855025

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline (CID 110749885) is 1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline is CCS(=O)(=O)N1CCCc2ccc(OC)cc21.
What is the InChIKey of 1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline?
The InChIKey is HDLZNNRRMXMPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-17(14,15)13-8-4-5-10-6-7-11(16-2)9-12(10)13/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline?
1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline has a molecular weight of 255.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110749885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).