8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one

C14H15NO3 — CID 826001

IUPAC8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one
SMILESCOc1cccc2c(=O)c3c([nH]c12)OC(C)(C)C3
InChIInChI=1S/C14H15NO3/c1-14(2)7-9-12(16)8-5-4-6-10(17-3)11(8)15-13(9)18-14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyCYXJXCFNCCXUDN-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.25
Rot. Bonds1

About 8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one

8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one (PubChem CID 826001) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one.

Molecular Properties

Compound Name8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one
PubChem CID826001
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one
SMILESCOc1cccc2c(=O)c3c([nH]c12)OC(C)(C)C3
InChIInChI=1S/C14H15NO3/c1-14(2)7-9-12(16)8-5-4-6-10(17-3)11(8)15-13(9)18-14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyCYXJXCFNCCXUDN-UHFFFAOYSA-N
XLogP2.25
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one?
The IUPAC name of 8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one (CID 826001) is 8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one.
What is the SMILES notation for 8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one?
The canonical SMILES for 8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one is COc1cccc2c(=O)c3c([nH]c12)OC(C)(C)C3.
What is the InChIKey of 8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one?
The InChIKey is CYXJXCFNCCXUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-14(2)7-9-12(16)8-5-4-6-10(17-3)11(8)15-13(9)18-14/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of 8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one?
8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one has a molecular weight of 245.28 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,2-dimethyl-3,9-dihydrofuro[2,3-b]quinolin-4-one is sourced from PubChem (CID 826001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).