6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol

C17H18ClNO5S — CID 110636425

IUPAC6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(O)c3cc(Cl)ccc32)cc1OC
InChIInChI=1S/C17H18ClNO5S/c1-23-16-6-4-12(10-17(16)24-2)25(21,22)19-8-7-15(20)13-9-11(18)3-5-14(13)19/h3-6,9-10,15,20H,7-8H2,1-2H3
InChIKeyRHOQNCNRHJSOKJ-UHFFFAOYSA-N
MW383.85 g/mol
LogP2.99
Rot. Bonds4

About 6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol

6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110636425) has the molecular formula C17H18ClNO5S and a molecular weight of 383.85 g/mol. Its IUPAC name is 6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110636425
Molecular FormulaC17H18ClNO5S
Molecular Weight383.85 g/mol
Exact Mass383.06
IUPAC Name6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(O)c3cc(Cl)ccc32)cc1OC
InChIInChI=1S/C17H18ClNO5S/c1-23-16-6-4-12(10-17(16)24-2)25(21,22)19-8-7-15(20)13-9-11(18)3-5-14(13)19/h3-6,9-10,15,20H,7-8H2,1-2H3
InChIKeyRHOQNCNRHJSOKJ-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-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol
CID 110636408
6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
CID 110636448
1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637221
5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 110636453
6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636432
1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol
CID 19009089
6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636585
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088320
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17338184
1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636294

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol (CID 110636425) is 6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol is COc1ccc(S(=O)(=O)N2CCC(O)c3cc(Cl)ccc32)cc1OC.
What is the InChIKey of 6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is RHOQNCNRHJSOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S/c1-23-16-6-4-12(10-17(16)24-2)25(21,22)19-8-7-15(20)13-9-11(18)3-5-14(13)19/h3-6,9-10,15,20H,7-8H2,1-2H3.
What are the key properties of 6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-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 6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110636425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).