2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one

C17H15NO2 — CID 10355492

IUPAC2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one
SMILESCC1(C)OC(/C=C/c2ccnc3ccccc23)=CC1=O
InChIInChI=1S/C17H15NO2/c1-17(2)16(19)11-13(20-17)8-7-12-9-10-18-15-6-4-3-5-14(12)15/h3-11H,1-2H3/b8-7+
InChIKeyIUUZQMDYKJNRIF-BQYQJAHWSA-N
MW265.31 g/mol
LogP3.51
Rot. Bonds2

About 2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one

2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one (PubChem CID 10355492) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one
PubChem CID10355492
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one
SMILESCC1(C)OC(/C=C/c2ccnc3ccccc23)=CC1=O
InChIInChI=1S/C17H15NO2/c1-17(2)16(19)11-13(20-17)8-7-12-9-10-18-15-6-4-3-5-14(12)15/h3-11H,1-2H3/b8-7+
InChIKeyIUUZQMDYKJNRIF-BQYQJAHWSA-N
XLogP3.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one?
The IUPAC name of 2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one (CID 10355492) is 2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one.
What is the SMILES notation for 2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one?
The canonical SMILES for 2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one is CC1(C)OC(/C=C/c2ccnc3ccccc23)=CC1=O.
What is the InChIKey of 2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one?
The InChIKey is IUUZQMDYKJNRIF-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H15NO2/c1-17(2)16(19)11-13(20-17)8-7-12-9-10-18-15-6-4-3-5-14(12)15/h3-11H,1-2H3/b8-7+.
What are the key properties of 2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one?
2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one has a molecular weight of 265.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one is sourced from PubChem (CID 10355492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).