[8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate

C23H18Cl2N4O4 — CID 118322097

IUPAC[8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate
SMILESCOc1cc(OC)c(Cl)c(-c2ccc(OC(=O)Nc3ccc(C)cn3)c3nccnc23)c1Cl
InChIInChI=1S/C23H18Cl2N4O4/c1-12-4-7-17(28-11-12)29-23(30)33-14-6-5-13(21-22(14)27-9-8-26-21)18-19(24)15(31-2)10-16(32-3)20(18)25/h4-11H,1-3H3,(H,28,29,30)
InChIKeyCDELLUDZPDVQMG-UHFFFAOYSA-N
MW485.33 g/mol
LogP5.94
Rot. Bonds5

About [8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate

[8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate (PubChem CID 118322097) has the molecular formula C23H18Cl2N4O4 and a molecular weight of 485.33 g/mol. Its IUPAC name is [8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Name[8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate
PubChem CID118322097
Molecular FormulaC23H18Cl2N4O4
Molecular Weight485.33 g/mol
Exact Mass484.07
IUPAC Name[8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate
SMILESCOc1cc(OC)c(Cl)c(-c2ccc(OC(=O)Nc3ccc(C)cn3)c3nccnc23)c1Cl
InChIInChI=1S/C23H18Cl2N4O4/c1-12-4-7-17(28-11-12)29-23(30)33-14-6-5-13(21-22(14)27-9-8-26-21)18-19(24)15(31-2)10-16(32-3)20(18)25/h4-11H,1-3H3,(H,28,29,30)
InChIKeyCDELLUDZPDVQMG-UHFFFAOYSA-N
XLogP5.94
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.33
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]carbamate
CID 118322034
[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-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate
CID 118321994
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)-N-[5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoline-8-carboxamide
CID 89274164
[8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate
CID 118321971
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide
CID 89284752
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
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
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]quinoxaline-5-carboxamide
CID 59292965

Frequently Asked Questions

What is the IUPAC name of [8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate?
The IUPAC name of [8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate (CID 118322097) is [8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for [8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate?
The canonical SMILES for [8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate is COc1cc(OC)c(Cl)c(-c2ccc(OC(=O)Nc3ccc(C)cn3)c3nccnc23)c1Cl.
What is the InChIKey of [8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate?
The InChIKey is CDELLUDZPDVQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O4/c1-12-4-7-17(28-11-12)29-23(30)33-14-6-5-13(21-22(14)27-9-8-26-21)18-19(24)15(31-2)10-16(32-3)20(18)25/h4-11H,1-3H3,(H,28,29,30).
What are the key properties of [8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate?
[8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate has a molecular weight of 485.33 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-(5-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 118322097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).