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

C18H17NO3 — CID 58407123

IUPACmethyl 8-(1-methyl-2-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1cccn(C)c1=O)=CCC2
InChIInChI=1S/C18H17NO3/c1-19-10-4-7-15(17(19)20)14-6-3-5-12-8-9-13(11-16(12)14)18(21)22-2/h4,6-11H,3,5H2,1-2H3
InChIKeyLQOJZJXWMBQTQH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.55
Rot. Bonds2

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

methyl 8-(1-methyl-2-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 58407123) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 8-(1-methyl-2-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(1-methyl-2-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
PubChem CID58407123
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 8-(1-methyl-2-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1cccn(C)c1=O)=CCC2
InChIInChI=1S/C18H17NO3/c1-19-10-4-7-15(17(19)20)14-6-3-5-12-8-9-13(11-16(12)14)18(21)22-2/h4,6-11H,3,5H2,1-2H3
InChIKeyLQOJZJXWMBQTQH-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-2-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl 8-(1-methyl-2-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate (CID 58407123) is methyl 8-(1-methyl-2-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-(1-methyl-2-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-(1-methyl-2-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C(c1cccn(C)c1=O)=CCC2.
What is the InChIKey of methyl 8-(1-methyl-2-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is LQOJZJXWMBQTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-19-10-4-7-15(17(19)20)14-6-3-5-12-8-9-13(11-16(12)14)18(21)22-2/h4,6-11H,3,5H2,1-2H3.
What are the key properties of methyl 8-(1-methyl-2-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
methyl 8-(1-methyl-2-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-2-oxo-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 58407123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).