4-isoquinolin-7-yl-N-methylpyridin-2-amine

C15H13N3 — CID 166371532

IUPAC4-isoquinolin-7-yl-N-methylpyridin-2-amine
SMILESCNc1cc(-c2ccc3ccncc3c2)ccn1
InChIInChI=1S/C15H13N3/c1-16-15-9-13(5-7-18-15)12-3-2-11-4-6-17-10-14(11)8-12/h2-10H,1H3,(H,16,18)
InChIKeyLFYCLKXISHGRLB-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.34
Rot. Bonds2

About 4-isoquinolin-7-yl-N-methylpyridin-2-amine

4-isoquinolin-7-yl-N-methylpyridin-2-amine (PubChem CID 166371532) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-isoquinolin-7-yl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-isoquinolin-7-yl-N-methylpyridin-2-amine
PubChem CID166371532
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name4-isoquinolin-7-yl-N-methylpyridin-2-amine
SMILESCNc1cc(-c2ccc3ccncc3c2)ccn1
InChIInChI=1S/C15H13N3/c1-16-15-9-13(5-7-18-15)12-3-2-11-4-6-17-10-14(11)8-12/h2-10H,1H3,(H,16,18)
InChIKeyLFYCLKXISHGRLB-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-7-yl-N-methylpyridin-2-amine?
The IUPAC name of 4-isoquinolin-7-yl-N-methylpyridin-2-amine (CID 166371532) is 4-isoquinolin-7-yl-N-methylpyridin-2-amine.
What is the SMILES notation for 4-isoquinolin-7-yl-N-methylpyridin-2-amine?
The canonical SMILES for 4-isoquinolin-7-yl-N-methylpyridin-2-amine is CNc1cc(-c2ccc3ccncc3c2)ccn1.
What is the InChIKey of 4-isoquinolin-7-yl-N-methylpyridin-2-amine?
The InChIKey is LFYCLKXISHGRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-16-15-9-13(5-7-18-15)12-3-2-11-4-6-17-10-14(11)8-12/h2-10H,1H3,(H,16,18).
What are the key properties of 4-isoquinolin-7-yl-N-methylpyridin-2-amine?
4-isoquinolin-7-yl-N-methylpyridin-2-amine has a molecular weight of 235.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-7-yl-N-methylpyridin-2-amine is sourced from PubChem (CID 166371532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).