isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine

C15H14N2O — CID 103137421

IUPACisoquinolin-8-yl-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(C(N)c2cccc3ccncc23)o1
InChIInChI=1S/C15H14N2O/c1-10-5-6-14(18-10)15(16)12-4-2-3-11-7-8-17-9-13(11)12/h2-9,15H,16H2,1H3
InChIKeyYQGHALPMPSEWKJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.18
Rot. Bonds2

About isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine

isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine (PubChem CID 103137421) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Nameisoquinolin-8-yl-(5-methylfuran-2-yl)methanamine
PubChem CID103137421
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Nameisoquinolin-8-yl-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(C(N)c2cccc3ccncc23)o1
InChIInChI=1S/C15H14N2O/c1-10-5-6-14(18-10)15(16)12-4-2-3-11-7-8-17-9-13(11)12/h2-9,15H,16H2,1H3
InChIKeyYQGHALPMPSEWKJ-UHFFFAOYSA-N
XLogP3.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
N-[isoquinolin-8-yl-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 103137787
isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135921
(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103136741
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103137069
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135968
(4-ethylsulfanylphenyl)-isoquinolin-8-ylmethanamine
CID 106848509
isoquinolin-8-yl-(1-methoxycyclobutyl)methanamine
CID 103143784
(3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine
CID 103136203
(3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine
CID 103138051

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine?
The IUPAC name of isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine (CID 103137421) is isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine is Cc1ccc(C(N)c2cccc3ccncc23)o1.
What is the InChIKey of isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine?
The InChIKey is YQGHALPMPSEWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-5-6-14(18-10)15(16)12-4-2-3-11-7-8-17-9-13(11)12/h2-9,15H,16H2,1H3.
What are the key properties of isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine?
isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine has a molecular weight of 238.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 103137421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).