3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide

C27H22N2O5S — CID 142776484

IUPAC3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide
SMILESCOc1cc2nccc(Oc3ccc4c(-c5cccc(S(N)(=O)=O)c5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H22N2O5S/c1-32-26-15-23-24(16-27(26)33-2)29-12-11-25(23)34-19-9-10-22-17(13-19)6-4-8-21(22)18-5-3-7-20(14-18)35(28,30)31/h3-16H,1-2H3,(H2,28,30,31)
InChIKeyATLHLOVDEUJBPR-UHFFFAOYSA-N
MW486.55 g/mol
LogP5.51
Rot. Bonds6

About 3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide

3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide (PubChem CID 142776484) has the molecular formula C27H22N2O5S and a molecular weight of 486.55 g/mol. Its IUPAC name is 3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide
PubChem CID142776484
Molecular FormulaC27H22N2O5S
Molecular Weight486.55 g/mol
Exact Mass486.12
IUPAC Name3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide
SMILESCOc1cc2nccc(Oc3ccc4c(-c5cccc(S(N)(=O)=O)c5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H22N2O5S/c1-32-26-15-23-24(16-27(26)33-2)29-12-11-25(23)34-19-9-10-22-17(13-19)6-4-8-21(22)18-5-3-7-20(14-18)35(28,30)31/h3-16H,1-2H3,(H2,28,30,31)
InChIKeyATLHLOVDEUJBPR-UHFFFAOYSA-N
XLogP5.51
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea
CID 59813803
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(4-propan-2-ylphenyl)urea
CID 59813824
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3,4-dimethylbenzamide
CID 59813296
4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide
CID 59813443
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609
4-methoxyquinoline-6-sulfonamide
CID 170007480
N-(4-chlorophenyl)sulfanyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-amine
CID 143083683
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide
CID 59813260

Frequently Asked Questions

What is the IUPAC name of 3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide (CID 142776484) is 3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide is COc1cc2nccc(Oc3ccc4c(-c5cccc(S(N)(=O)=O)c5)cccc4c3)c2cc1OC.
What is the InChIKey of 3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide?
The InChIKey is ATLHLOVDEUJBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O5S/c1-32-26-15-23-24(16-27(26)33-2)29-12-11-25(23)34-19-9-10-22-17(13-19)6-4-8-21(22)18-5-3-7-20(14-18)35(28,30)31/h3-16H,1-2H3,(H2,28,30,31).
What are the key properties of 3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide?
3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide has a molecular weight of 486.55 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 142776484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).