methyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate

C18H17NO3 — CID 58406616

IUPACmethyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1ccc(=O)n(C)c1)=CCC2
InChIInChI=1S/C18H17NO3/c1-19-11-14(8-9-17(19)20)15-5-3-4-12-6-7-13(10-16(12)15)18(21)22-2/h5-11H,3-4H2,1-2H3
InChIKeyAQWWXFLIPVKGGE-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.55
Rot. Bonds2

About methyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate

methyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 58406616) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
PubChem CID58406616
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1ccc(=O)n(C)c1)=CCC2
InChIInChI=1S/C18H17NO3/c1-19-11-14(8-9-17(19)20)15-5-3-4-12-6-7-13(10-16(12)15)18(21)22-2/h5-11H,3-4H2,1-2H3
InChIKeyAQWWXFLIPVKGGE-UHFFFAOYSA-N
XLogP2.55
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate (CID 58406616) is methyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C(c1ccc(=O)n(C)c1)=CCC2.
What is the InChIKey of methyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is AQWWXFLIPVKGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-19-11-14(8-9-17(19)20)15-5-3-4-12-6-7-13(10-16(12)15)18(21)22-2/h5-11H,3-4H2,1-2H3.
What are the key properties of methyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
methyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(1-methyl-6-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 58406616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).