methyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate

C16H16N2O5 — CID 3101746

IUPACmethyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1C(=O)C(=O)C=C2N1CCOCC1
InChIInChI=1S/C16H16N2O5/c1-9-7-10(16(21)22-2)13-14(17-9)11(8-12(19)15(13)20)18-3-5-23-6-4-18/h7-8H,3-6H2,1-2H3
InChIKeyFKVLEVTZACLFAJ-UHFFFAOYSA-N
MW316.31 g/mol
LogP0.62
Rot. Bonds2

About methyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate

methyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate (PubChem CID 3101746) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is methyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate
PubChem CID3101746
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Namemethyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1C(=O)C(=O)C=C2N1CCOCC1
InChIInChI=1S/C16H16N2O5/c1-9-7-10(16(21)22-2)13-14(17-9)11(8-12(19)15(13)20)18-3-5-23-6-4-18/h7-8H,3-6H2,1-2H3
InChIKeyFKVLEVTZACLFAJ-UHFFFAOYSA-N
XLogP0.62
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate?
The IUPAC name of methyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate (CID 3101746) is methyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate?
The canonical SMILES for methyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate is COC(=O)c1cc(C)nc2c1C(=O)C(=O)C=C2N1CCOCC1.
What is the InChIKey of methyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate?
The InChIKey is FKVLEVTZACLFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-9-7-10(16(21)22-2)13-14(17-9)11(8-12(19)15(13)20)18-3-5-23-6-4-18/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate?
methyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate has a molecular weight of 316.31 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-8-morpholin-4-yl-5,6-dioxoquinoline-4-carboxylate is sourced from PubChem (CID 3101746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).