methyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate

C19H17NO4 — CID 14957737

IUPACmethyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O
InChIInChI=1S/C19H17NO4/c1-19(2)11-15(20-9-5-4-6-16(20)21)14-10-12(18(23)24-3)7-8-13(14)17(19)22/h4-11H,1-3H3
InChIKeyASZGSPRQVOCZTP-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.75
Rot. Bonds2

About methyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate

methyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate (PubChem CID 14957737) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate
PubChem CID14957737
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namemethyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O
InChIInChI=1S/C19H17NO4/c1-19(2)11-15(20-9-5-4-6-16(20)21)14-10-12(18(23)24-3)7-8-13(14)17(19)22/h4-11H,1-3H3
InChIKeyASZGSPRQVOCZTP-UHFFFAOYSA-N
XLogP2.75
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate?
The IUPAC name of methyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate (CID 14957737) is methyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O.
What is the InChIKey of methyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate?
The InChIKey is ASZGSPRQVOCZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-19(2)11-15(20-9-5-4-6-16(20)21)14-10-12(18(23)24-3)7-8-13(14)17(19)22/h4-11H,1-3H3.
What are the key properties of methyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate?
methyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,6-dimethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carboxylate is sourced from PubChem (CID 14957737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).