methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate

C32H28N2O5 — CID 130410671

IUPACmethyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)NCC2C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C32H28N2O5/c1-38-32(37)25-18-34-26(27-23-13-7-5-11-21(23)15-16-22-12-6-8-14-24(22)27)17-33-31(36)28(34)30(29(25)35)39-19-20-9-3-2-4-10-20/h2-14,18,26-27H,15-17,19H2,1H3,(H,33,36)
InChIKeyQDZOZWCJKVJBJR-UHFFFAOYSA-N
MW520.59 g/mol
LogP4.43
Rot. Bonds5

About methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate

methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate (PubChem CID 130410671) has the molecular formula C32H28N2O5 and a molecular weight of 520.59 g/mol. Its IUPAC name is methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate
PubChem CID130410671
Molecular FormulaC32H28N2O5
Molecular Weight520.59 g/mol
Exact Mass520.20
IUPAC Namemethyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)NCC2C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C32H28N2O5/c1-38-32(37)25-18-34-26(27-23-13-7-5-11-21(23)15-16-22-12-6-8-14-24(22)27)17-33-31(36)28(34)30(29(25)35)39-19-20-9-3-2-4-10-20/h2-14,18,26-27H,15-17,19H2,1H3,(H,33,36)
InChIKeyQDZOZWCJKVJBJR-UHFFFAOYSA-N
XLogP4.43
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate (CID 130410671) is methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate is COC(=O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)NCC2C1c2ccccc2CCc2ccccc21.
What is the InChIKey of methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate?
The InChIKey is QDZOZWCJKVJBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O5/c1-38-32(37)25-18-34-26(27-23-13-7-5-11-21(23)15-16-22-12-6-8-14-24(22)27)17-33-31(36)28(34)30(29(25)35)39-19-20-9-3-2-4-10-20/h2-14,18,26-27H,15-17,19H2,1H3,(H,33,36).
What are the key properties of methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate?
methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate has a molecular weight of 520.59 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,8-dioxo-9-phenylmethoxy-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 130410671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).