8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide

C21H17Cl2N5O5 — CID 87509108

IUPAC8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide
SMILESCOc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl.NC(=O)c1ccn[nH]1
InChIInChI=1S/C17H12Cl2N2O4.C4H5N3O/c1-24-10-7-11(25-2)14(19)12(13(10)18)8-3-4-9(17(22)23)16-15(8)20-5-6-21-16;5-4(8)3-1-2-6-7-3/h3-7H,1-2H3,(H,22,23);1-2H,(H2,5,8)(H,6,7)
InChIKeyNIJYSLKWYDTHNC-UHFFFAOYSA-N
MW490.30 g/mol
LogP3.83
Rot. Bonds5

About 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide

8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide (PubChem CID 87509108) has the molecular formula C21H17Cl2N5O5 and a molecular weight of 490.30 g/mol. Its IUPAC name is 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide
PubChem CID87509108
Molecular FormulaC21H17Cl2N5O5
Molecular Weight490.30 g/mol
Exact Mass489.06
IUPAC Name8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide
SMILESCOc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl.NC(=O)c1ccn[nH]1
InChIInChI=1S/C17H12Cl2N2O4.C4H5N3O/c1-24-10-7-11(25-2)14(19)12(13(10)18)8-3-4-9(17(22)23)16-15(8)20-5-6-21-16;5-4(8)3-1-2-6-7-3/h3-7H,1-2H3,(H,22,23);1-2H,(H2,5,8)(H,6,7)
InChIKeyNIJYSLKWYDTHNC-UHFFFAOYSA-N
XLogP3.83
TPSA153.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.30
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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;5-(diethylaminomethyl)-1H-imidazol-2-amine
CID 87509655
8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid
CID 86641143
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine
CID 87509466
5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride
CID 87202475
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
5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;5-(diethylaminomethyl)-1H-imidazole-2-carboxamide
CID 87509323
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]quinoxaline-5-carboxamide
CID 59292965
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(5-formyl-1H-imidazol-2-yl)quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-amine
CID 87513671
[8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate
CID 118322097
1H-pyrazole-5-carboxamide;hydrate
CID 172743817

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide?
The IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide (CID 87509108) is 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide.
What is the SMILES notation for 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide?
The canonical SMILES for 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide is COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl.NC(=O)c1ccn[nH]1.
What is the InChIKey of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide?
The InChIKey is NIJYSLKWYDTHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O4.C4H5N3O/c1-24-10-7-11(25-2)14(19)12(13(10)18)8-3-4-9(17(22)23)16-15(8)20-5-6-21-16;5-4(8)3-1-2-6-7-3/h3-7H,1-2H3,(H,22,23);1-2H,(H2,5,8)(H,6,7).
What are the key properties of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide?
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide has a molecular weight of 490.30 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide is sourced from PubChem (CID 87509108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).