6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline

C12H14BrNO2S — CID 176658466

IUPAC6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(C1CC1)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C12H14BrNO2S/c13-10-3-6-12-9(8-10)2-1-7-14(12)17(15,16)11-4-5-11/h3,6,8,11H,1-2,4-5,7H2
InChIKeyBPBPNAUTGOIWJP-UHFFFAOYSA-N
MW316.22 g/mol
LogP2.69
Rot. Bonds2

About 6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline

6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 176658466) has the molecular formula C12H14BrNO2S and a molecular weight of 316.22 g/mol. Its IUPAC name is 6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID176658466
Molecular FormulaC12H14BrNO2S
Molecular Weight316.22 g/mol
Exact Mass314.99
IUPAC Name6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(C1CC1)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C12H14BrNO2S/c13-10-3-6-12-9(8-10)2-1-7-14(12)17(15,16)11-4-5-11/h3,6,8,11H,1-2,4-5,7H2
InChIKeyBPBPNAUTGOIWJP-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole
CID 75511460
1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 61066001
1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 52582833
6-bromo-1-piperidin-4-yl-3,4-dihydro-2H-quinoline
CID 171525009
1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine
CID 102661303
2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974954
methyl 3-[(6-bromo-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methoxybenzoate
CID 71865336
6-[(6-bromo-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-chloro-3-methyl-1,3-benzoxazol-2-one
CID 17139177
1-cyclohexylsulfonyl-7-nitro-3,4-dihydro-2H-quinoline
CID 122630596
1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 113382377
1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 83093286
(3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline
CID 163673039

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline (CID 176658466) is 6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline is O=S(=O)(C1CC1)N1CCCc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is BPBPNAUTGOIWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2S/c13-10-3-6-12-9(8-10)2-1-7-14(12)17(15,16)11-4-5-11/h3,6,8,11H,1-2,4-5,7H2.
What are the key properties of 6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline?
6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 316.22 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 176658466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).