7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol

C18H21NO4S — CID 110637203

IUPAC7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc2c(c1)N(S(=O)(=O)Cc1ccc(C)cc1)CCC2O
InChIInChI=1S/C18H21NO4S/c1-13-3-5-14(6-4-13)12-24(21,22)19-10-9-18(20)16-8-7-15(23-2)11-17(16)19/h3-8,11,18,20H,9-10,12H2,1-2H3
InChIKeyOGSVQZLJGPOZGX-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.78
Rot. Bonds4

About 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol

7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110637203) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110637203
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc2c(c1)N(S(=O)(=O)Cc1ccc(C)cc1)CCC2O
InChIInChI=1S/C18H21NO4S/c1-13-3-5-14(6-4-13)12-24(21,22)19-10-9-18(20)16-8-7-15(23-2)11-17(16)19/h3-8,11,18,20H,9-10,12H2,1-2H3
InChIKeyOGSVQZLJGPOZGX-UHFFFAOYSA-N
XLogP2.78
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637189
7-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637195
7-methoxy-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637194
6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
CID 110636787
1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110636752
1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637221
7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637225
(4S)-7-methoxy-1-prop-2-enyl-3,4-dihydro-2H-quinolin-4-ol
CID 125494089
cyclobutyl-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637163
1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637031
8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-4-ol
CID 10712674
4-hydroxy-7-methoxy-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110637157

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol (CID 110637203) is 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol is COc1ccc2c(c1)N(S(=O)(=O)Cc1ccc(C)cc1)CCC2O.
What is the InChIKey of 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is OGSVQZLJGPOZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13-3-5-14(6-4-13)12-24(21,22)19-10-9-18(20)16-8-7-15(23-2)11-17(16)19/h3-8,11,18,20H,9-10,12H2,1-2H3.
What are the key properties of 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol?
7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 347.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110637203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).