dimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate

C19H18ClN3O5 — CID 14690240

IUPACdimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate
SMILESCOC(=O)c1cn2c(c(N3CCOCC3)nc3ccc(Cl)cc32)c1C(=O)OC
InChIInChI=1S/C19H18ClN3O5/c1-26-18(24)12-10-23-14-9-11(20)3-4-13(14)21-17(22-5-7-28-8-6-22)16(23)15(12)19(25)27-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyFTCXULHNKRLWGB-UHFFFAOYSA-N
MW403.82 g/mol
LogP2.55
Rot. Bonds3

About dimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate

dimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate (PubChem CID 14690240) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is dimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate
PubChem CID14690240
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC Namedimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate
SMILESCOC(=O)c1cn2c(c(N3CCOCC3)nc3ccc(Cl)cc32)c1C(=O)OC
InChIInChI=1S/C19H18ClN3O5/c1-26-18(24)12-10-23-14-9-11(20)3-4-13(14)21-17(22-5-7-28-8-6-22)16(23)15(12)19(25)27-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyFTCXULHNKRLWGB-UHFFFAOYSA-N
XLogP2.55
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate?
The IUPAC name of dimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate (CID 14690240) is dimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate?
The canonical SMILES for dimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate is COC(=O)c1cn2c(c(N3CCOCC3)nc3ccc(Cl)cc32)c1C(=O)OC.
What is the InChIKey of dimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate?
The InChIKey is FTCXULHNKRLWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c1-26-18(24)12-10-23-14-9-11(20)3-4-13(14)21-17(22-5-7-28-8-6-22)16(23)15(12)19(25)27-2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of dimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate?
dimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate has a molecular weight of 403.82 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 8-chloro-4-morpholin-4-ylpyrrolo[1,2-a]quinoxaline-2,3-dicarboxylate is sourced from PubChem (CID 14690240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).