methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate

C13H7ClN4O2 — CID 168731145

IUPACmethyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(Cl)c(C(C#N)C#N)nc2c1
InChIInChI=1S/C13H7ClN4O2/c1-20-13(19)7-2-3-9-10(4-7)17-11(12(14)18-9)8(5-15)6-16/h2-4,8H,1H3
InChIKeyOECQPQPUMDHDCC-UHFFFAOYSA-N
MW286.68 g/mol
LogP2.20
Rot. Bonds2

About methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate

methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate (PubChem CID 168731145) has the molecular formula C13H7ClN4O2 and a molecular weight of 286.68 g/mol. Its IUPAC name is methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate
PubChem CID168731145
Molecular FormulaC13H7ClN4O2
Molecular Weight286.68 g/mol
Exact Mass286.03
IUPAC Namemethyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(Cl)c(C(C#N)C#N)nc2c1
InChIInChI=1S/C13H7ClN4O2/c1-20-13(19)7-2-3-9-10(4-7)17-11(12(14)18-9)8(5-15)6-16/h2-4,8H,1H3
InChIKeyOECQPQPUMDHDCC-UHFFFAOYSA-N
XLogP2.20
TPSA99.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 7-chlorophenazine-2-carboxylate
CID 154715967
methyl phenazine-2-carboxylate
CID 617185
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
methyl 3-(dicyanomethyl)-4-hydroxybenzoate
CID 135044304
2,3-dichloro-N-propan-2-ylquinoxaline-6-carboxamide
CID 15158271
dimethyl 5-(2,3-dimethylquinoxaline-6-carbonyl)oxybenzene-1,3-dicarboxylate
CID 9456451
2-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-8-yl)propanedinitrile
CID 2106603
methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate
CID 90240452
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 3-chloro-4-ethenylbenzoate
CID 21360560
methyl 2-aminoquinoline-7-carboxylate
CID 118266696
methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate
CID 25252836

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate (CID 168731145) is methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(Cl)c(C(C#N)C#N)nc2c1.
What is the InChIKey of methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate?
The InChIKey is OECQPQPUMDHDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4O2/c1-20-13(19)7-2-3-9-10(4-7)17-11(12(14)18-9)8(5-15)6-16/h2-4,8H,1H3.
What are the key properties of methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate?
methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate has a molecular weight of 286.68 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate is sourced from PubChem (CID 168731145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).