7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one

C15H15NO3 — CID 14166104

IUPAC7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
SMILESCOc1cccc2c3c(c(=O)[nH]c12)C=CC(C)(C)O3
InChIInChI=1S/C15H15NO3/c1-15(2)8-7-10-13(19-15)9-5-4-6-11(18-3)12(9)16-14(10)17/h4-8H,1-3H3,(H,16,17)
InChIKeyYBYSRJYNHOVUKM-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.72
Rot. Bonds1

About 7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one

7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one (PubChem CID 14166104) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
PubChem CID14166104
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
SMILESCOc1cccc2c3c(c(=O)[nH]c12)C=CC(C)(C)O3
InChIInChI=1S/C15H15NO3/c1-15(2)8-7-10-13(19-15)9-5-4-6-11(18-3)12(9)16-14(10)17/h4-8H,1-3H3,(H,16,17)
InChIKeyYBYSRJYNHOVUKM-UHFFFAOYSA-N
XLogP2.72
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one?
The IUPAC name of 7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one (CID 14166104) is 7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one is COc1cccc2c3c(c(=O)[nH]c12)C=CC(C)(C)O3.
What is the InChIKey of 7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one?
The InChIKey is YBYSRJYNHOVUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-15(2)8-7-10-13(19-15)9-5-4-6-11(18-3)12(9)16-14(10)17/h4-8H,1-3H3,(H,16,17).
What are the key properties of 7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one?
7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one has a molecular weight of 257.29 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 14166104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).