1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline

C18H21NO3S — CID 2932316

IUPAC1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H21NO3S/c1-13-11-17(22-3)18(12-14(13)2)23(20,21)19-10-6-8-15-7-4-5-9-16(15)19/h4-5,7,9,11-12H,6,8,10H2,1-3H3
InChIKeyCAUSZPFGKQXLKV-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.45
Rot. Bonds3

About 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline

1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 2932316) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID2932316
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H21NO3S/c1-13-11-17(22-3)18(12-14(13)2)23(20,21)19-10-6-8-15-7-4-5-9-16(15)19/h4-5,7,9,11-12H,6,8,10H2,1-3H3
InChIKeyCAUSZPFGKQXLKV-UHFFFAOYSA-N
XLogP3.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 753266
6-Methoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 988603
1-(2,3-Dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1147613
1-Benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 2293923
1-((2-Methoxy-5-methylphenyl)sulfonyl)-4-phenylpiperazine
CID 775526
9-Methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
CID 775733
1-(2-Methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1242019
1-[(5-Isopropyl-2-methoxyphenyl)sulfonyl]-4-phenylpiperazine
CID 1288554
(E)-3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid
CID 1336904
1-[(2-Methoxy-5-methylphenyl)sulfonyl]-2-methylindoline
CID 2956783
(2E)-3-[4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)-3-methoxyphenyl]acrylic acid
CID 5827280

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 2932316) is 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is COc1cc(C)c(C)cc1S(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is CAUSZPFGKQXLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13-11-17(22-3)18(12-14(13)2)23(20,21)19-10-6-8-15-7-4-5-9-16(15)19/h4-5,7,9,11-12H,6,8,10H2,1-3H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 331.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 2932316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).