methyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate

C14H18N2O5 — CID 70820309

IUPACmethyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate
SMILESCCCCOc1c2n(cc(C(=O)OC)c1=O)CCNC2=O
InChIInChI=1S/C14H18N2O5/c1-3-4-7-21-12-10-13(18)15-5-6-16(10)8-9(11(12)17)14(19)20-2/h8H,3-7H2,1-2H3,(H,15,18)
InChIKeyOPMJCSIMKBFLNP-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.56
Rot. Bonds5

About methyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate

methyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate (PubChem CID 70820309) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate
PubChem CID70820309
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate
SMILESCCCCOc1c2n(cc(C(=O)OC)c1=O)CCNC2=O
InChIInChI=1S/C14H18N2O5/c1-3-4-7-21-12-10-13(18)15-5-6-16(10)8-9(11(12)17)14(19)20-2/h8H,3-7H2,1-2H3,(H,15,18)
InChIKeyOPMJCSIMKBFLNP-UHFFFAOYSA-N
XLogP0.56
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate (CID 70820309) is methyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate is CCCCOc1c2n(cc(C(=O)OC)c1=O)CCNC2=O.
What is the InChIKey of methyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate?
The InChIKey is OPMJCSIMKBFLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-4-7-21-12-10-13(18)15-5-6-16(10)8-9(11(12)17)14(19)20-2/h8H,3-7H2,1-2H3,(H,15,18).
What are the key properties of methyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate?
methyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 70820309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).