1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline

C17H18BrNO4S — CID 38750679

IUPAC1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cccc(OC)c32)cc1Br
InChIInChI=1S/C17H18BrNO4S/c1-22-15-9-8-13(11-14(15)18)24(20,21)19-10-4-6-12-5-3-7-16(23-2)17(12)19/h3,5,7-9,11H,4,6,10H2,1-2H3
InChIKeyRPPUMVQHPIZUPD-UHFFFAOYSA-N
MW412.31 g/mol
LogP3.61
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline

1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline (PubChem CID 38750679) has the molecular formula C17H18BrNO4S and a molecular weight of 412.31 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline
PubChem CID38750679
Molecular FormulaC17H18BrNO4S
Molecular Weight412.31 g/mol
Exact Mass411.01
IUPAC Name1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cccc(OC)c32)cc1Br
InChIInChI=1S/C17H18BrNO4S/c1-22-15-9-8-13(11-14(15)18)24(20,21)19-10-4-6-12-5-3-7-16(23-2)17(12)19/h3,5,7-9,11H,4,6,10H2,1-2H3
InChIKeyRPPUMVQHPIZUPD-UHFFFAOYSA-N
XLogP3.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
CID 31324854
5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid
CID 56797604
methyl 3-[5-[(8-acetyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxyphenyl]prop-2-enoate
CID 71948436
2-[(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]propanoic acid
CID 61457991
1-(3-chloropropylsulfonyl)-8-methoxy-3,4-dihydro-2H-quinoline
CID 54877239
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55632192
1-(3-bromo-4-methoxyphenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219127
1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-7-methyl-2,3-dihydroindole
CID 112846336
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol
CID 43502818
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 23961657
4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline
CID 61105845
3-bromo-4-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46772852

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline (CID 38750679) is 1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline is COc1ccc(S(=O)(=O)N2CCCc3cccc(OC)c32)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline?
The InChIKey is RPPUMVQHPIZUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4S/c1-22-15-9-8-13(11-14(15)18)24(20,21)19-10-4-6-12-5-3-7-16(23-2)17(12)19/h3,5,7-9,11H,4,6,10H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline?
1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline has a molecular weight of 412.31 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 38750679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).