1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline

C17H19NO3S — CID 42913173

IUPAC1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3CCC2C)cc1
InChIInChI=1S/C17H19NO3S/c1-13-7-8-14-5-3-4-6-17(14)18(13)22(19,20)16-11-9-15(21-2)10-12-16/h3-6,9-13H,7-8H2,1-2H3
InChIKeyOKNWQJUNWGRFEX-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.23
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline

1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 42913173) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID42913173
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3CCC2C)cc1
InChIInChI=1S/C17H19NO3S/c1-13-7-8-14-5-3-4-6-17(14)18(13)22(19,20)16-11-9-15(21-2)10-12-16/h3-6,9-13H,7-8H2,1-2H3
InChIKeyOKNWQJUNWGRFEX-UHFFFAOYSA-N
XLogP3.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
2-[(4-Methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 711111
6-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
N-(3,4-Dimethoxybenzenesulphonyl)-1,2,3,4-tetrahydroquinoline
CID 667562
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
1-[(4-Methoxyphenyl)sulfonyl]-2-methylindoline
CID 2989329
1-[(4-Tert-butylphenyl)sulfonyl]-4-(4-methoxyphenyl)piperazine
CID 3860166
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71457214
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride
CID 71462617
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-(3,4-Dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
CID 1262214

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline (CID 42913173) is 1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline is COc1ccc(S(=O)(=O)N2c3ccccc3CCC2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is OKNWQJUNWGRFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-7-8-14-5-3-4-6-17(14)18(13)22(19,20)16-11-9-15(21-2)10-12-16/h3-6,9-13H,7-8H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 317.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 42913173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).