3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine

C17H18N2O — CID 105143514

IUPAC3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine
SMILESCNC(CCc1ccco1)c1cccc2cnccc12
InChIInChI=1S/C17H18N2O/c1-18-17(8-7-14-5-3-11-20-14)16-6-2-4-13-12-19-10-9-15(13)16/h2-6,9-12,17-18H,7-8H2,1H3
InChIKeyPVDRMHQJQGSCBE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.72
Rot. Bonds5

About 3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine

3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine (PubChem CID 105143514) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine
PubChem CID105143514
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine
SMILESCNC(CCc1ccco1)c1cccc2cnccc12
InChIInChI=1S/C17H18N2O/c1-18-17(8-7-14-5-3-11-20-14)16-6-2-4-13-12-19-10-9-15(13)16/h2-6,9-12,17-18H,7-8H2,1H3
InChIKeyPVDRMHQJQGSCBE-UHFFFAOYSA-N
XLogP3.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine 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

3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine
CID 105147383
N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine
CID 103136933
1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine
CID 105143463
1-isoquinolin-5-yl-2-methoxy-N-methylethanamine
CID 62814012
1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115853007
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
3-(furan-2-yl)-N-methyl-1-quinolin-6-ylpropan-1-amine
CID 105172364
(1-isoquinolin-5-yl-3-pyridin-4-ylpropyl)hydrazine
CID 105303109
2-(furan-2-yl)-N-methyl-1-(3-methyl-4-pyridinyl)ethanamine
CID 83182779
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
4-isoquinolin-5-yl-N-methylpentan-2-amine
CID 64719637
1-isoquinolin-8-yl-N-methylheptan-1-amine
CID 103137970

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine?
The IUPAC name of 3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine (CID 105143514) is 3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine is CNC(CCc1ccco1)c1cccc2cnccc12.
What is the InChIKey of 3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine?
The InChIKey is PVDRMHQJQGSCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-18-17(8-7-14-5-3-11-20-14)16-6-2-4-13-12-19-10-9-15(13)16/h2-6,9-12,17-18H,7-8H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine?
3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine has a molecular weight of 266.34 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine is sourced from PubChem (CID 105143514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).