9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one

C16H19NO3 — CID 10492487

IUPAC9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
SMILESCOc1ccc2c(c1)c1c(c(=O)n2C)CCC(C)(C)O1
InChIInChI=1S/C16H19NO3/c1-16(2)8-7-11-14(20-16)12-9-10(19-4)5-6-13(12)17(3)15(11)18/h5-6,9H,7-8H2,1-4H3
InChIKeyNLZAWUVAIXEENQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.65
Rot. Bonds1

About 9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one

9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one (PubChem CID 10492487) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
PubChem CID10492487
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
SMILESCOc1ccc2c(c1)c1c(c(=O)n2C)CCC(C)(C)O1
InChIInChI=1S/C16H19NO3/c1-16(2)8-7-11-14(20-16)12-9-10(19-4)5-6-13(12)17(3)15(11)18/h5-6,9H,7-8H2,1-4H3
InChIKeyNLZAWUVAIXEENQ-UHFFFAOYSA-N
XLogP2.65
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one?
The IUPAC name of 9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one (CID 10492487) is 9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one is COc1ccc2c(c1)c1c(c(=O)n2C)CCC(C)(C)O1.
What is the InChIKey of 9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one?
The InChIKey is NLZAWUVAIXEENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-16(2)8-7-11-14(20-16)12-9-10(19-4)5-6-13(12)17(3)15(11)18/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one?
9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one has a molecular weight of 273.33 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 10492487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).