methyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate

C16H15ClN2O3 — CID 123713610

IUPACmethyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate
SMILESCOC(=O)C1=C2C(=O)Nc3ccc(Cl)cc3N2C=C(C)C1C
InChIInChI=1S/C16H15ClN2O3/c1-8-7-19-12-6-10(17)4-5-11(12)18-15(20)14(19)13(9(8)2)16(21)22-3/h4-7,9H,1-3H3,(H,18,20)
InChIKeyWLIXCMLRRZSNPB-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.08
Rot. Bonds1

About methyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate

methyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate (PubChem CID 123713610) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is methyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate
PubChem CID123713610
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Namemethyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate
SMILESCOC(=O)C1=C2C(=O)Nc3ccc(Cl)cc3N2C=C(C)C1C
InChIInChI=1S/C16H15ClN2O3/c1-8-7-19-12-6-10(17)4-5-11(12)18-15(20)14(19)13(9(8)2)16(21)22-3/h4-7,9H,1-3H3,(H,18,20)
InChIKeyWLIXCMLRRZSNPB-UHFFFAOYSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate?
The IUPAC name of methyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate (CID 123713610) is methyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate.
What is the SMILES notation for methyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate?
The canonical SMILES for methyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate is COC(=O)C1=C2C(=O)Nc3ccc(Cl)cc3N2C=C(C)C1C.
What is the InChIKey of methyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate?
The InChIKey is WLIXCMLRRZSNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-8-7-19-12-6-10(17)4-5-11(12)18-15(20)14(19)13(9(8)2)16(21)22-3/h4-7,9H,1-3H3,(H,18,20).
What are the key properties of methyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate?
methyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate has a molecular weight of 318.76 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-8,9-dimethyl-6-oxo-5,8-dihydropyrido[1,2-a]quinoxaline-7-carboxylate is sourced from PubChem (CID 123713610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).