1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline

C13H18ClNO2S — CID 110714280

IUPAC1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline
SMILESCCCCS(=O)(=O)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C13H18ClNO2S/c1-2-3-9-18(16,17)15-8-4-5-11-10-12(14)6-7-13(11)15/h6-7,10H,2-5,8-9H2,1H3
InChIKeyGGCKLOFJPXSTGH-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.22
Rot. Bonds4

About 1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline

1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline (PubChem CID 110714280) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline
PubChem CID110714280
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline
SMILESCCCCS(=O)(=O)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C13H18ClNO2S/c1-2-3-9-18(16,17)15-8-4-5-11-10-12(14)6-7-13(11)15/h6-7,10H,2-5,8-9H2,1H3
InChIKeyGGCKLOFJPXSTGH-UHFFFAOYSA-N
XLogP3.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43142373
6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234
2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834941
1-butylsulfonyl-5-methoxy-2,3-dihydroindole
CID 110714111
1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661429
1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 83093286
1-butylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336701
3-chloro-4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448468
4-butylsulfonyl-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 110663213
5-chloro-2-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 42448604
5-iodo-1-propylsulfonyl-2,3-dihydroindole
CID 129452194
2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27368931

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline (CID 110714280) is 1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline is CCCCS(=O)(=O)N1CCCc2cc(Cl)ccc21.
What is the InChIKey of 1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline?
The InChIKey is GGCKLOFJPXSTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-2-3-9-18(16,17)15-8-4-5-11-10-12(14)6-7-13(11)15/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline?
1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline has a molecular weight of 287.81 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110714280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).