3-(furan-2-yl)-1-phenylisoquinoline

C19H13NO — CID 10849728

IUPAC3-(furan-2-yl)-1-phenylisoquinoline
SMILESc1ccc(-c2nc(-c3ccco3)cc3ccccc23)cc1
InChIInChI=1S/C19H13NO/c1-2-7-14(8-3-1)19-16-10-5-4-9-15(16)13-17(20-19)18-11-6-12-21-18/h1-13H
InChIKeyNYRXTROOBDWGSZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP5.16
Rot. Bonds2

About 3-(furan-2-yl)-1-phenylisoquinoline

3-(furan-2-yl)-1-phenylisoquinoline (PubChem CID 10849728) has the molecular formula C19H13NO and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-phenylisoquinoline.

Molecular Properties

Compound Name3-(furan-2-yl)-1-phenylisoquinoline
PubChem CID10849728
Molecular FormulaC19H13NO
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC Name3-(furan-2-yl)-1-phenylisoquinoline
SMILESc1ccc(-c2nc(-c3ccco3)cc3ccccc23)cc1
InChIInChI=1S/C19H13NO/c1-2-7-14(8-3-1)19-16-10-5-4-9-15(16)13-17(20-19)18-11-6-12-21-18/h1-13H
InChIKeyNYRXTROOBDWGSZ-UHFFFAOYSA-N
XLogP5.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.32
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-phenylisoquinoline?
The IUPAC name of 3-(furan-2-yl)-1-phenylisoquinoline (CID 10849728) is 3-(furan-2-yl)-1-phenylisoquinoline.
What is the SMILES notation for 3-(furan-2-yl)-1-phenylisoquinoline?
The canonical SMILES for 3-(furan-2-yl)-1-phenylisoquinoline is c1ccc(-c2nc(-c3ccco3)cc3ccccc23)cc1.
What is the InChIKey of 3-(furan-2-yl)-1-phenylisoquinoline?
The InChIKey is NYRXTROOBDWGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO/c1-2-7-14(8-3-1)19-16-10-5-4-9-15(16)13-17(20-19)18-11-6-12-21-18/h1-13H.
What are the key properties of 3-(furan-2-yl)-1-phenylisoquinoline?
3-(furan-2-yl)-1-phenylisoquinoline has a molecular weight of 271.32 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-phenylisoquinoline is sourced from PubChem (CID 10849728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).