5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride

C18H13Cl4NO6S — CID 87202475

IUPAC5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride
SMILESCOc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3ncccc23)c1Cl.O=S(=O)(Cl)Cl
InChIInChI=1S/C18H13Cl2NO4.Cl2O2S/c1-24-12-8-13(25-2)16(20)14(15(12)19)9-5-6-11(18(22)23)17-10(9)4-3-7-21-17;1-5(2,3)4/h3-8H,1-2H3,(H,22,23);
InChIKeyUQLXKCFDYFRHRC-UHFFFAOYSA-N
MW513.18 g/mol
LogP5.63
Rot. Bonds4

About 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride

5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride (PubChem CID 87202475) has the molecular formula C18H13Cl4NO6S and a molecular weight of 513.18 g/mol. Its IUPAC name is 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride.

Molecular Properties

Compound Name5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride
PubChem CID87202475
Molecular FormulaC18H13Cl4NO6S
Molecular Weight513.18 g/mol
Exact Mass510.92
IUPAC Name5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride
SMILESCOc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3ncccc23)c1Cl.O=S(=O)(Cl)Cl
InChIInChI=1S/C18H13Cl2NO4.Cl2O2S/c1-24-12-8-13(25-2)16(20)14(15(12)19)9-5-6-11(18(22)23)17-10(9)4-3-7-21-17;1-5(2,3)4/h3-8H,1-2H3,(H,22,23);
InChIKeyUQLXKCFDYFRHRC-UHFFFAOYSA-N
XLogP5.63
TPSA102.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.18
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide
CID 87509323
5-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoline-8-carboxamide
CID 89274164
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide
CID 87509108
N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline
CID 87513879
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039992
8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid
CID 86641143
[5-(2,6-dichloro-3,5-dimethoxyphenyl)quinolin-8-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate
CID 118322071
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine
CID 87509655
3-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039973
5-[6-[(4-tert-butyl-3-fluorophenyl)sulfanylamino]-2,3-dichlorophenyl]quinoline-8-carboxylic acid
CID 144857661
5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline
CID 173144918
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine
CID 87509466

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride?
The IUPAC name of 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride (CID 87202475) is 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride.
What is the SMILES notation for 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride?
The canonical SMILES for 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride is COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3ncccc23)c1Cl.O=S(=O)(Cl)Cl.
What is the InChIKey of 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride?
The InChIKey is UQLXKCFDYFRHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO4.Cl2O2S/c1-24-12-8-13(25-2)16(20)14(15(12)19)9-5-6-11(18(22)23)17-10(9)4-3-7-21-17;1-5(2,3)4/h3-8H,1-2H3,(H,22,23);.
What are the key properties of 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride?
5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride has a molecular weight of 513.18 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride is sourced from PubChem (CID 87202475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).