[(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate

C15H14ClN3O3 — CID 7463428

IUPAC[(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate
SMILESCOC[C@@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1Cl
InChIInChI=1S/C15H14ClN3O3/c1-9(8-21-2)22-15(20)10(7-17)13-14(16)19-12-6-4-3-5-11(12)18-13/h3-6,9-10H,8H2,1-2H3/t9-,10+/m1/s1
InChIKeyDYISXYHGGZUTHI-ZJUUUORDSA-N
MW319.75 g/mol
LogP2.47
Rot. Bonds5

About [(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate

[(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate (PubChem CID 7463428) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is [(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate.

Molecular Properties

Compound Name[(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate
PubChem CID7463428
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name[(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate
SMILESCOC[C@@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1Cl
InChIInChI=1S/C15H14ClN3O3/c1-9(8-21-2)22-15(20)10(7-17)13-14(16)19-12-6-4-3-5-11(12)18-13/h3-6,9-10H,8H2,1-2H3/t9-,10+/m1/s1
InChIKeyDYISXYHGGZUTHI-ZJUUUORDSA-N
XLogP2.47
TPSA85.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate with MolForge

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Launch Full Analysis

Related Compounds

1-methoxypropan-2-yl 2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate
CID 22695986
2-methylpropyl (2S)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate
CID 7463424
pentyl (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate
CID 7463399
[(2R)-1-methoxypropan-2-yl] (2R)-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate
CID 41032850
[(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate
CID 98344839
ethyl 1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoethyl]quinoxalin-2-yl]piperidine-3-carboxylate
CID 660411
[(2R)-1-methoxypropan-2-yl] (2R)-2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate
CID 40995250
methyl (2S)-2-cyano-2-[3-(2-methylpropylamino)quinoxalin-2-yl]acetate
CID 41195509
ethyl 2-[3-[bis(2-methylpropyl)amino]quinoxalin-2-yl]-2-cyanoacetate
CID 23959481
2-methoxyethyl 2-[3-[bis(prop-2-enyl)amino]quinoxalin-2-yl]-2-cyanoacetate
CID 660819
2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide
CID 71561169
1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate
CID 115485979

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate?
The IUPAC name of [(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate (CID 7463428) is [(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate.
What is the SMILES notation for [(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate?
The canonical SMILES for [(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate is COC[C@@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1Cl.
What is the InChIKey of [(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate?
The InChIKey is DYISXYHGGZUTHI-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-9(8-21-2)22-15(20)10(7-17)13-14(16)19-12-6-4-3-5-11(12)18-13/h3-6,9-10H,8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of [(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate?
[(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate has a molecular weight of 319.75 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methoxypropan-2-yl] (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate is sourced from PubChem (CID 7463428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).