1-(5-methylfuran-2-yl)isoquinoline

C14H11NO — CID 15323057

IUPAC1-(5-methylfuran-2-yl)isoquinoline
SMILESCc1ccc(-c2nccc3ccccc23)o1
InChIInChI=1S/C14H11NO/c1-10-6-7-13(16-10)14-12-5-3-2-4-11(12)8-9-15-14/h2-9H,1H3
InChIKeyWWBLKGWXZGCFAB-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.80
Rot. Bonds1

About 1-(5-methylfuran-2-yl)isoquinoline

1-(5-methylfuran-2-yl)isoquinoline (PubChem CID 15323057) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)isoquinoline.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)isoquinoline
PubChem CID15323057
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name1-(5-methylfuran-2-yl)isoquinoline
SMILESCc1ccc(-c2nccc3ccccc23)o1
InChIInChI=1S/C14H11NO/c1-10-6-7-13(16-10)14-12-5-3-2-4-11(12)8-9-15-14/h2-9H,1H3
InChIKeyWWBLKGWXZGCFAB-UHFFFAOYSA-N
XLogP3.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)isoquinoline?
The IUPAC name of 1-(5-methylfuran-2-yl)isoquinoline (CID 15323057) is 1-(5-methylfuran-2-yl)isoquinoline.
What is the SMILES notation for 1-(5-methylfuran-2-yl)isoquinoline?
The canonical SMILES for 1-(5-methylfuran-2-yl)isoquinoline is Cc1ccc(-c2nccc3ccccc23)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)isoquinoline?
The InChIKey is WWBLKGWXZGCFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-10-6-7-13(16-10)14-12-5-3-2-4-11(12)8-9-15-14/h2-9H,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)isoquinoline?
1-(5-methylfuran-2-yl)isoquinoline has a molecular weight of 209.25 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)isoquinoline is sourced from PubChem (CID 15323057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).