8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide

C22H16Cl2N4O4 — CID 44514180

IUPAC8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide
SMILESCOc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(=O)[nH]c3)c3nccnc23)c1Cl
InChIInChI=1S/C22H16Cl2N4O4/c1-31-14-9-15(32-2)19(24)17(18(14)23)12-4-5-13(21-20(12)25-7-8-26-21)22(30)28-11-3-6-16(29)27-10-11/h3-10H,1-2H3,(H,27,29)(H,28,30)
InChIKeyUWEXSNHIQLDQQH-UHFFFAOYSA-N
MW471.30 g/mol
LogP4.56
Rot. Bonds5

About 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide

8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide (PubChem CID 44514180) has the molecular formula C22H16Cl2N4O4 and a molecular weight of 471.30 g/mol. Its IUPAC name is 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide.

Molecular Properties

Compound Name8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide
PubChem CID44514180
Molecular FormulaC22H16Cl2N4O4
Molecular Weight471.30 g/mol
Exact Mass470.05
IUPAC Name8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide
SMILESCOc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(=O)[nH]c3)c3nccnc23)c1Cl
InChIInChI=1S/C22H16Cl2N4O4/c1-31-14-9-15(32-2)19(24)17(18(14)23)12-4-5-13(21-20(12)25-7-8-26-21)22(30)28-11-3-6-16(29)27-10-11/h3-10H,1-2H3,(H,27,29)(H,28,30)
InChIKeyUWEXSNHIQLDQQH-UHFFFAOYSA-N
XLogP4.56
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.30
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide
CID 89284752
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-[6-[(2,2,4-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]quinoxaline-5-carboxamide
CID 44512876
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)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide
CID 87509108
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(2,2-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide
CID 59292913
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide
CID 89283710
[8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate
CID 118322097
2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 107208827
8-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-N-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide
CID 59292924
8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]quinoxaline-5-carboxamide
CID 59292910
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine
CID 87509655

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide?
The IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide (CID 44514180) is 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide.
What is the SMILES notation for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide?
The canonical SMILES for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide is COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(=O)[nH]c3)c3nccnc23)c1Cl.
What is the InChIKey of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide?
The InChIKey is UWEXSNHIQLDQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O4/c1-31-14-9-15(32-2)19(24)17(18(14)23)12-4-5-13(21-20(12)25-7-8-26-21)22(30)28-11-3-6-16(29)27-10-11/h3-10H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide?
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide has a molecular weight of 471.30 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-oxo-1H-pyridin-3-yl)quinoxaline-5-carboxamide is sourced from PubChem (CID 44514180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).