8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid

C18H15ClN2O3 — CID 86641143

IUPAC8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid
SMILESCOc1cc(C)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1C
InChIInChI=1S/C18H15ClN2O3/c1-9-8-13(24-3)10(2)14(15(9)19)11-4-5-12(18(22)23)17-16(11)20-6-7-21-17/h4-8H,1-3H3,(H,22,23)
InChIKeyNWVRKEMSRQIRTK-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.27
Rot. Bonds3

About 8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid

8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid (PubChem CID 86641143) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid
PubChem CID86641143
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid
SMILESCOc1cc(C)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1C
InChIInChI=1S/C18H15ClN2O3/c1-9-8-13(24-3)10(2)14(15(9)19)11-4-5-12(18(22)23)17-16(11)20-6-7-21-17/h4-8H,1-3H3,(H,22,23)
InChIKeyNWVRKEMSRQIRTK-UHFFFAOYSA-N
XLogP4.27
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide
CID 87509108
5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride
CID 87202475
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine
CID 87509655
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide
CID 87509279
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine
CID 87509466
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid
CID 160668998
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide
CID 44514180
[8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate
CID 118322097
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
3-amino-2-chloro-5-methoxy-4-methylbenzoic acid
CID 84681342
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223255

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid?
The IUPAC name of 8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid (CID 86641143) is 8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid.
What is the SMILES notation for 8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid?
The canonical SMILES for 8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid is COc1cc(C)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1C.
What is the InChIKey of 8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid?
The InChIKey is NWVRKEMSRQIRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-9-8-13(24-3)10(2)14(15(9)19)11-4-5-12(18(22)23)17-16(11)20-6-7-21-17/h4-8H,1-3H3,(H,22,23).
What are the key properties of 8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid?
8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid has a molecular weight of 342.78 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid is sourced from PubChem (CID 86641143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).