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

C15H15NO3 — CID 648601

IUPAC9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
SMILESCOc1ccc2[nH]c(=O)c3c(c2c1)OC(C)(C)C=C3
InChIInChI=1S/C15H15NO3/c1-15(2)7-6-10-13(19-15)11-8-9(18-3)4-5-12(11)16-14(10)17/h4-8H,1-3H3,(H,16,17)
InChIKeyIXRKDGGGFFCRIR-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.72
Rot. Bonds1

About 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one

9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one (PubChem CID 648601) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
PubChem CID648601
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
SMILESCOc1ccc2[nH]c(=O)c3c(c2c1)OC(C)(C)C=C3
InChIInChI=1S/C15H15NO3/c1-15(2)7-6-10-13(19-15)11-8-9(18-3)4-5-12(11)16-14(10)17/h4-8H,1-3H3,(H,16,17)
InChIKeyIXRKDGGGFFCRIR-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 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one?
The IUPAC name of 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one (CID 648601) is 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one is COc1ccc2[nH]c(=O)c3c(c2c1)OC(C)(C)C=C3.
What is the InChIKey of 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one?
The InChIKey is IXRKDGGGFFCRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-15(2)7-6-10-13(19-15)11-8-9(18-3)4-5-12(11)16-14(10)17/h4-8H,1-3H3,(H,16,17).
What are the key properties of 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one?
9-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 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 648601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).