1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol

C18H21NO6S — CID 110637189

IUPAC1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(O)c3ccc(OC)cc32)c(OC)c1
InChIInChI=1S/C18H21NO6S/c1-23-12-4-6-14-15(10-12)19(9-8-16(14)20)26(21,22)18-7-5-13(24-2)11-17(18)25-3/h4-7,10-11,16,20H,8-9H2,1-3H3
InChIKeyVVEZPEYSEMKQQV-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.34
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol

1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110637189) has the molecular formula C18H21NO6S and a molecular weight of 379.43 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110637189
Molecular FormulaC18H21NO6S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(O)c3ccc(OC)cc32)c(OC)c1
InChIInChI=1S/C18H21NO6S/c1-23-12-4-6-14-15(10-12)19(9-8-16(14)20)26(21,22)18-7-5-13(24-2)11-17(18)25-3/h4-7,10-11,16,20H,8-9H2,1-3H3
InChIKeyVVEZPEYSEMKQQV-UHFFFAOYSA-N
XLogP2.34
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637221
7-methoxy-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637194
7-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637195
1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637031
1-(2,5-dimethylphenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110636752
7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637225
7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol
CID 110637203
6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636596
1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 110708580
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605335
1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole
CID 110714003
1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 110350848

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol (CID 110637189) is 1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol is COc1ccc(S(=O)(=O)N2CCC(O)c3ccc(OC)cc32)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is VVEZPEYSEMKQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6S/c1-23-12-4-6-14-15(10-12)19(9-8-16(14)20)26(21,22)18-7-5-13(24-2)11-17(18)25-3/h4-7,10-11,16,20H,8-9H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol?
1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 379.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110637189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).