7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine

C15H13BrN4 — CID 169099885

IUPAC7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine
SMILESCc1ccc(CNc2nccc3ccc(Br)cc23)nn1
InChIInChI=1S/C15H13BrN4/c1-10-2-5-13(20-19-10)9-18-15-14-8-12(16)4-3-11(14)6-7-17-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyLZGWJHDIEXQHDK-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.71
Rot. Bonds3

About 7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine

7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine (PubChem CID 169099885) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is 7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine
PubChem CID169099885
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine
SMILESCc1ccc(CNc2nccc3ccc(Br)cc23)nn1
InChIInChI=1S/C15H13BrN4/c1-10-2-5-13(20-19-10)9-18-15-14-8-12(16)4-3-11(14)6-7-17-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyLZGWJHDIEXQHDK-UHFFFAOYSA-N
XLogP3.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine?
The IUPAC name of 7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine (CID 169099885) is 7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine?
The canonical SMILES for 7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine is Cc1ccc(CNc2nccc3ccc(Br)cc23)nn1.
What is the InChIKey of 7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine?
The InChIKey is LZGWJHDIEXQHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c1-10-2-5-13(20-19-10)9-18-15-14-8-12(16)4-3-11(14)6-7-17-15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine?
7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine has a molecular weight of 329.20 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(6-methylpyridazin-3-yl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 169099885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).