5-(furan-3-yl)isoquinoline

C13H9NO — CID 102045200

IUPAC5-(furan-3-yl)isoquinoline
SMILESc1cc(-c2ccoc2)c2ccncc2c1
InChIInChI=1S/C13H9NO/c1-2-10-8-14-6-4-13(10)12(3-1)11-5-7-15-9-11/h1-9H
InChIKeyIYBLVQCPWZTNNM-UHFFFAOYSA-N
MW195.22 g/mol
LogP3.49
Rot. Bonds1

About 5-(furan-3-yl)isoquinoline

5-(furan-3-yl)isoquinoline (PubChem CID 102045200) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(furan-3-yl)isoquinoline.

Molecular Properties

Compound Name5-(furan-3-yl)isoquinoline
PubChem CID102045200
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name5-(furan-3-yl)isoquinoline
SMILESc1cc(-c2ccoc2)c2ccncc2c1
InChIInChI=1S/C13H9NO/c1-2-10-8-14-6-4-13(10)12(3-1)11-5-7-15-9-11/h1-9H
InChIKeyIYBLVQCPWZTNNM-UHFFFAOYSA-N
XLogP3.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-pyrimidin-5-ylisoquinoline
CID 141337488
5-(3-chlorophenyl)isoquinoline
CID 23602252
5-(5-bromo-3-pyridinyl)isoquinoline
CID 172649263
5-isoquinolin-5-ylpyridin-3-ol
CID 83130626
2-isoquinolin-5-ylaniline
CID 62812627
3-isoquinolin-5-ylbenzaldehyde
CID 62812454
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline
CID 118582355
1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 113381709
(3-isoquinolin-5-ylfuran-2-yl)methanamine
CID 106887150
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122416201
2-isoquinolin-5-yl-1,3-oxazole-4-carboxylic acid
CID 122563207
5-isoquinolin-5-ylpyridine-3-carboxylic acid
CID 56828979

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)isoquinoline?
The IUPAC name of 5-(furan-3-yl)isoquinoline (CID 102045200) is 5-(furan-3-yl)isoquinoline.
What is the SMILES notation for 5-(furan-3-yl)isoquinoline?
The canonical SMILES for 5-(furan-3-yl)isoquinoline is c1cc(-c2ccoc2)c2ccncc2c1.
What is the InChIKey of 5-(furan-3-yl)isoquinoline?
The InChIKey is IYBLVQCPWZTNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c1-2-10-8-14-6-4-13(10)12(3-1)11-5-7-15-9-11/h1-9H.
What are the key properties of 5-(furan-3-yl)isoquinoline?
5-(furan-3-yl)isoquinoline has a molecular weight of 195.22 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)isoquinoline is sourced from PubChem (CID 102045200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).