3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline

C14H13NO — CID 102037148

IUPAC3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline
SMILESCC1=NC(c2ccco2)Cc2ccccc21
InChIInChI=1S/C14H13NO/c1-10-12-6-3-2-5-11(12)9-13(15-10)14-7-4-8-16-14/h2-8,13H,9H2,1H3
InChIKeyNQQDLLHFUFAVQP-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.39
Rot. Bonds1

About 3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline

3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline (PubChem CID 102037148) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline
PubChem CID102037148
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline
SMILESCC1=NC(c2ccco2)Cc2ccccc21
InChIInChI=1S/C14H13NO/c1-10-12-6-3-2-5-11(12)9-13(15-10)14-7-4-8-16-14/h2-8,13H,9H2,1H3
InChIKeyNQQDLLHFUFAVQP-UHFFFAOYSA-N
XLogP3.39
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline?
The IUPAC name of 3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline (CID 102037148) is 3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for 3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline is CC1=NC(c2ccco2)Cc2ccccc21.
What is the InChIKey of 3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline?
The InChIKey is NQQDLLHFUFAVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-12-6-3-2-5-11(12)9-13(15-10)14-7-4-8-16-14/h2-8,13H,9H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline?
3-(furan-2-yl)-1-methyl-3,4-dihydroisoquinoline has a molecular weight of 211.26 g/mol, XLogP of 3.39, 1 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-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 102037148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).