1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol

C17H18ClNO5S — CID 110637221

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1cc(Cl)ccc1OC)CCC2O
InChIInChI=1S/C17H18ClNO5S/c1-23-12-4-5-13-14(10-12)19(8-7-15(13)20)25(21,22)17-9-11(18)3-6-16(17)24-2/h3-6,9-10,15,20H,7-8H2,1-2H3
InChIKeySVQMCDMNZNKSEK-UHFFFAOYSA-N
MW383.85 g/mol
LogP2.99
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol

1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110637221) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110637221
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1cc(Cl)ccc1OC)CCC2O
InChIInChI=1S/C17H18ClNO5S/c1-23-12-4-5-13-14(10-12)19(8-7-15(13)20)25(21,22)17-9-11(18)3-6-16(17)24-2/h3-6,9-10,15,20H,7-8H2,1-2H3
InChIKeySVQMCDMNZNKSEK-UHFFFAOYSA-N
XLogP2.99
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637189
6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636425
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-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187
(2,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637145
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
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline
CID 46382919
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol
CID 110637203

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol (CID 110637221) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol is COc1ccc2c(c1)N(S(=O)(=O)c1cc(Cl)ccc1OC)CCC2O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is SVQMCDMNZNKSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c1-23-12-4-5-13-14(10-12)19(8-7-15(13)20)25(21,22)17-9-11(18)3-6-16(17)24-2/h3-6,9-10,15,20H,7-8H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol?
1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 383.85 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110637221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).