1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline

C20H15NO2 — CID 44551728

IUPAC1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline
SMILESCOc1ccc(-c2cc3ccccc3c(-c3ccco3)n2)cc1
InChIInChI=1S/C20H15NO2/c1-22-16-10-8-14(9-11-16)18-13-15-5-2-3-6-17(15)20(21-18)19-7-4-12-23-19/h2-13H,1H3
InChIKeyXQUNXNXYQVNXEC-UHFFFAOYSA-N
MW301.35 g/mol
LogP5.17
Rot. Bonds3

About 1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline

1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline (PubChem CID 44551728) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline
PubChem CID44551728
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline
SMILESCOc1ccc(-c2cc3ccccc3c(-c3ccco3)n2)cc1
InChIInChI=1S/C20H15NO2/c1-22-16-10-8-14(9-11-16)18-13-15-5-2-3-6-17(15)20(21-18)19-7-4-12-23-19/h2-13H,1H3
InChIKeyXQUNXNXYQVNXEC-UHFFFAOYSA-N
XLogP5.17
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.35
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline with MolForge

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

Launch Full Analysis

Related Compounds

1-isoquinolin-1-yl-3-(4-methoxyphenyl)isoquinoline
CID 175029706
methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
CID 168525532
ethyl 3-(4-methoxyphenyl)isoquinoline-1-carboxylate
CID 138972364
1-(3-chloro-4-methoxyphenyl)-3-pyridin-4-ylisoquinoline
CID 58658850
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
4-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 75360227
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
1,3-bis(4-methoxyphenyl)benzo[f]quinoline
CID 17201995
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
2-(furan-2-yl)-3-(4-methoxyphenyl)furan
CID 175393326
2-(4-methoxyphenyl)indeno[2,1-b]pyran
CID 822916
1-[(4-ethylpiperazin-1-yl)methyl]-3-(4-methoxyphenyl)isoquinoline;methane
CID 162101226

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline?
The IUPAC name of 1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline (CID 44551728) is 1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline.
What is the SMILES notation for 1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline?
The canonical SMILES for 1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline is COc1ccc(-c2cc3ccccc3c(-c3ccco3)n2)cc1.
What is the InChIKey of 1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline?
The InChIKey is XQUNXNXYQVNXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-22-16-10-8-14(9-11-16)18-13-15-5-2-3-6-17(15)20(21-18)19-7-4-12-23-19/h2-13H,1H3.
What are the key properties of 1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline?
1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline has a molecular weight of 301.35 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline is sourced from PubChem (CID 44551728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).