isoquinolin-8-yl(pyridin-3-yl)methanamine

C15H13N3 — CID 103137345

IUPACisoquinolin-8-yl(pyridin-3-yl)methanamine
SMILESNC(c1cccnc1)c1cccc2ccncc12
InChIInChI=1S/C15H13N3/c16-15(12-4-2-7-17-9-12)13-5-1-3-11-6-8-18-10-14(11)13/h1-10,15H,16H2
InChIKeyXIBUJGWYGYZLDK-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.68
Rot. Bonds2

About isoquinolin-8-yl(pyridin-3-yl)methanamine

isoquinolin-8-yl(pyridin-3-yl)methanamine (PubChem CID 103137345) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is isoquinolin-8-yl(pyridin-3-yl)methanamine.

Molecular Properties

Compound Nameisoquinolin-8-yl(pyridin-3-yl)methanamine
PubChem CID103137345
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Nameisoquinolin-8-yl(pyridin-3-yl)methanamine
SMILESNC(c1cccnc1)c1cccc2ccncc12
InChIInChI=1S/C15H13N3/c16-15(12-4-2-7-17-9-12)13-5-1-3-11-6-8-18-10-14(11)13/h1-10,15H,16H2
InChIKeyXIBUJGWYGYZLDK-UHFFFAOYSA-N
XLogP2.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
(4-ethylsulfanylphenyl)-isoquinolin-8-ylmethanamine
CID 106848509
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103137069
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135968
(4-bromo-3-chlorophenyl)-isoquinolin-8-ylmethanamine
CID 103136517
isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine
CID 103137421
isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine
CID 105143585
(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799417
(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103136741
(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135921

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl(pyridin-3-yl)methanamine?
The IUPAC name of isoquinolin-8-yl(pyridin-3-yl)methanamine (CID 103137345) is isoquinolin-8-yl(pyridin-3-yl)methanamine.
What is the SMILES notation for isoquinolin-8-yl(pyridin-3-yl)methanamine?
The canonical SMILES for isoquinolin-8-yl(pyridin-3-yl)methanamine is NC(c1cccnc1)c1cccc2ccncc12.
What is the InChIKey of isoquinolin-8-yl(pyridin-3-yl)methanamine?
The InChIKey is XIBUJGWYGYZLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-15(12-4-2-7-17-9-12)13-5-1-3-11-6-8-18-10-14(11)13/h1-10,15H,16H2.
What are the key properties of isoquinolin-8-yl(pyridin-3-yl)methanamine?
isoquinolin-8-yl(pyridin-3-yl)methanamine has a molecular weight of 235.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl(pyridin-3-yl)methanamine is sourced from PubChem (CID 103137345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).