7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one

C16H12N2O2 — CID 166337709

IUPAC7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2ccc(-c3cnc4occc4c3)cc21
InChIInChI=1S/C16H12N2O2/c19-15-14-8-11(2-1-10(14)3-5-17-15)13-7-12-4-6-20-16(12)18-9-13/h1-2,4,6-9H,3,5H2,(H,17,19)
InChIKeyQFSPKQZLKGQMIU-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.78
Rot. Bonds1

About 7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one

7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 166337709) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID166337709
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2ccc(-c3cnc4occc4c3)cc21
InChIInChI=1S/C16H12N2O2/c19-15-14-8-11(2-1-10(14)3-5-17-15)13-7-12-4-6-20-16(12)18-9-13/h1-2,4,6-9H,3,5H2,(H,17,19)
InChIKeyQFSPKQZLKGQMIU-UHFFFAOYSA-N
XLogP2.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one (CID 166337709) is 7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one is O=C1NCCc2ccc(-c3cnc4occc4c3)cc21.
What is the InChIKey of 7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is QFSPKQZLKGQMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15-14-8-11(2-1-10(14)3-5-17-15)13-7-12-4-6-20-16(12)18-9-13/h1-2,4,6-9H,3,5H2,(H,17,19).
What are the key properties of 7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one?
7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 264.28 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-furo[2,3-b]pyridin-5-yl-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 166337709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).