ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate

C19H15N3O5 — CID 99983804

IUPACethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate
SMILESCCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc2nccnc2c1
InChIInChI=1S/C19H15N3O5/c1-2-26-19(25)12-9-22-18(24)16-11(8-15(23)27-17(12)16)10-3-4-13-14(7-10)21-6-5-20-13/h3-7,9,11H,2,8H2,1H3,(H,22,24)/t11-/m1/s1
InChIKeyCTUIRPYITBQQEJ-LLVKDONJSA-N
MW365.35 g/mol
LogP1.94
Rot. Bonds3

About ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate

ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate (PubChem CID 99983804) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate
PubChem CID99983804
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Nameethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate
SMILESCCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc2nccnc2c1
InChIInChI=1S/C19H15N3O5/c1-2-26-19(25)12-9-22-18(24)16-11(8-15(23)27-17(12)16)10-3-4-13-14(7-10)21-6-5-20-13/h3-7,9,11H,2,8H2,1H3,(H,22,24)/t11-/m1/s1
InChIKeyCTUIRPYITBQQEJ-LLVKDONJSA-N
XLogP1.94
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate
CID 86206943
4-[5-(8-ethoxycarbonyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl)furan-2-yl]benzoic acid
CID 91637756
(4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one
CID 99998264
(4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one
CID 99991768
(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045635
(10S)-3-(2-fluorophenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 125123899
ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 57360922
(10S)-5-hydroxy-3-(4-hydroxyphenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424518
ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 16740433
ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 86732817
ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate
CID 115960764
ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate
CID 141454268

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate?
The IUPAC name of ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate (CID 99983804) is ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate.
What is the SMILES notation for ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate?
The canonical SMILES for ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate is CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc2nccnc2c1.
What is the InChIKey of ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate?
The InChIKey is CTUIRPYITBQQEJ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-2-26-19(25)12-9-22-18(24)16-11(8-15(23)27-17(12)16)10-3-4-13-14(7-10)21-6-5-20-13/h3-7,9,11H,2,8H2,1H3,(H,22,24)/t11-/m1/s1.
What are the key properties of ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate?
ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate has a molecular weight of 365.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate is sourced from PubChem (CID 99983804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).