N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine

C18H20N2O — CID 103137787

IUPACN-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)o1)c1cccc2ccncc12
InChIInChI=1S/C18H20N2O/c1-3-10-20-18(17-8-7-13(2)21-17)15-6-4-5-14-9-11-19-12-16(14)15/h4-9,11-12,18,20H,3,10H2,1-2H3
InChIKeyHXSTYBPUCWFAGI-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.23
Rot. Bonds5

About N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine

N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 103137787) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID103137787
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)o1)c1cccc2ccncc12
InChIInChI=1S/C18H20N2O/c1-3-10-20-18(17-8-7-13(2)21-17)15-6-4-5-14-9-11-19-12-16(14)15/h4-9,11-12,18,20H,3,10H2,1-2H3
InChIKeyHXSTYBPUCWFAGI-UHFFFAOYSA-N
XLogP4.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromofuran-2-yl)-isoquinolin-8-ylmethyl]propan-1-amine
CID 103136300
isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine
CID 103137421
N-[(5-bromofuran-2-yl)-isoquinolin-5-ylmethyl]propan-1-amine
CID 115852979
N-[isoquinolin-8-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 103137707
N-[(2-fluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 81477002
1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
CID 103135847
N-[isoquinolin-8-yl-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 103137746
1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine
CID 103143800
4,4,4-trifluoro-1-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103136036
1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine
CID 103143789
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161
3-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103132486

Frequently Asked Questions

What is the IUPAC name of N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine (CID 103137787) is N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)o1)c1cccc2ccncc12.
What is the InChIKey of N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is HXSTYBPUCWFAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-10-20-18(17-8-7-13(2)21-17)15-6-4-5-14-9-11-19-12-16(14)15/h4-9,11-12,18,20H,3,10H2,1-2H3.
What are the key properties of N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine?
N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 280.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 103137787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).