(3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate

C21H15NO3 — CID 25058405

IUPAC(3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate
SMILESO=C(OCc1c(-c2ccccc2)ncc2ccccc12)c1ccco1
InChIInChI=1S/C21H15NO3/c23-21(19-11-6-12-24-19)25-14-18-17-10-5-4-9-16(17)13-22-20(18)15-7-2-1-3-8-15/h1-13H,14H2
InChIKeySYCOCXNZOODZMP-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.85
Rot. Bonds4

About (3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate

(3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate (PubChem CID 25058405) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate.

Molecular Properties

Compound Name(3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate
PubChem CID25058405
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name(3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate
SMILESO=C(OCc1c(-c2ccccc2)ncc2ccccc12)c1ccco1
InChIInChI=1S/C21H15NO3/c23-21(19-11-6-12-24-19)25-14-18-17-10-5-4-9-16(17)13-22-20(18)15-7-2-1-3-8-15/h1-13H,14H2
InChIKeySYCOCXNZOODZMP-UHFFFAOYSA-N
XLogP4.85
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate?
The IUPAC name of (3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate (CID 25058405) is (3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate.
What is the SMILES notation for (3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate?
The canonical SMILES for (3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate is O=C(OCc1c(-c2ccccc2)ncc2ccccc12)c1ccco1.
What is the InChIKey of (3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate?
The InChIKey is SYCOCXNZOODZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-21(19-11-6-12-24-19)25-14-18-17-10-5-4-9-16(17)13-22-20(18)15-7-2-1-3-8-15/h1-13H,14H2.
What are the key properties of (3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate?
(3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylisoquinolin-4-yl)methyl furan-2-carboxylate is sourced from PubChem (CID 25058405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).