9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one

C16H15NO3 — CID 146729256

IUPAC9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one
SMILESCC(C)=CCOc1c2[nH]c(=O)ccc2cc2ccoc12
InChIInChI=1S/C16H15NO3/c1-10(2)5-7-20-16-14-11(3-4-13(18)17-14)9-12-6-8-19-15(12)16/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChIKeyRHCHNMYJTGZHQB-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.62
Rot. Bonds3

About 9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one

9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one (PubChem CID 146729256) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one.

Molecular Properties

Compound Name9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one
PubChem CID146729256
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one
SMILESCC(C)=CCOc1c2[nH]c(=O)ccc2cc2ccoc12
InChIInChI=1S/C16H15NO3/c1-10(2)5-7-20-16-14-11(3-4-13(18)17-14)9-12-6-8-19-15(12)16/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChIKeyRHCHNMYJTGZHQB-UHFFFAOYSA-N
XLogP3.62
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one?
The IUPAC name of 9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one (CID 146729256) is 9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one.
What is the SMILES notation for 9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one?
The canonical SMILES for 9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one is CC(C)=CCOc1c2[nH]c(=O)ccc2cc2ccoc12.
What is the InChIKey of 9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one?
The InChIKey is RHCHNMYJTGZHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10(2)5-7-20-16-14-11(3-4-13(18)17-14)9-12-6-8-19-15(12)16/h3-6,8-9H,7H2,1-2H3,(H,17,18).
What are the key properties of 9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one?
9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one has a molecular weight of 269.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylbut-2-enoxy)-8H-furo[3,2-g]quinolin-7-one is sourced from PubChem (CID 146729256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).