3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine

C17H18N2O — CID 105147383

IUPAC3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine
SMILESCNC(CCc1ccco1)c1cncc2ccccc12
InChIInChI=1S/C17H18N2O/c1-18-17(9-8-14-6-4-10-20-14)16-12-19-11-13-5-2-3-7-15(13)16/h2-7,10-12,17-18H,8-9H2,1H3
InChIKeySILRYKVPHGEBRZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.72
Rot. Bonds5

About 3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine

3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine (PubChem CID 105147383) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine
PubChem CID105147383
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine
SMILESCNC(CCc1ccco1)c1cncc2ccccc12
InChIInChI=1S/C17H18N2O/c1-18-17(9-8-14-6-4-10-20-14)16-12-19-11-13-5-2-3-7-15(13)16/h2-7,10-12,17-18H,8-9H2,1H3
InChIKeySILRYKVPHGEBRZ-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

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Related Compounds

3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine
CID 105143514
1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine
CID 63940368
2-tert-butylsulfanyl-1-isoquinolin-4-yl-N-methylethanamine
CID 65133000
1-isoquinolin-4-yl-N-methyl-2-(4-methylphenyl)ethanamine
CID 63939404
3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141555
4-(furan-2-yl)-N-methyl-1-naphthalen-1-ylbutan-2-amine
CID 61078586
N-ethyl-3-(furan-2-yl)-1-isoquinolin-8-ylpropan-1-amine
CID 103136933
1-(2,5-dimethylphenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105120302
3-(furan-2-yl)-N-methyl-1-quinolin-6-ylpropan-1-amine
CID 105172364
1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105108978
1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 112742517
3-(furan-2-yl)-N-methyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107332164

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine?
The IUPAC name of 3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine (CID 105147383) is 3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine is CNC(CCc1ccco1)c1cncc2ccccc12.
What is the InChIKey of 3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine?
The InChIKey is SILRYKVPHGEBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-18-17(9-8-14-6-4-10-20-14)16-12-19-11-13-5-2-3-7-15(13)16/h2-7,10-12,17-18H,8-9H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine?
3-(furan-2-yl)-1-isoquinolin-4-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-4-yl-N-methylpropan-1-amine is sourced from PubChem (CID 105147383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).