7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine

C16H12ClFN2 — CID 57410242

IUPAC7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine
SMILESCNc1cc2ccc(-c3cc(F)ccc3Cl)cc2cn1
InChIInChI=1S/C16H12ClFN2/c1-19-16-7-10-2-3-11(6-12(10)9-20-16)14-8-13(18)4-5-15(14)17/h2-9H,1H3,(H,19,20)
InChIKeyIIWCUQAVWTZEFQ-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.74
Rot. Bonds2

About 7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine

7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine (PubChem CID 57410242) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is 7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine.

Molecular Properties

Compound Name7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine
PubChem CID57410242
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC Name7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine
SMILESCNc1cc2ccc(-c3cc(F)ccc3Cl)cc2cn1
InChIInChI=1S/C16H12ClFN2/c1-19-16-7-10-2-3-11(6-12(10)9-20-16)14-8-13(18)4-5-15(14)17/h2-9H,1H3,(H,19,20)
InChIKeyIIWCUQAVWTZEFQ-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine?
The IUPAC name of 7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine (CID 57410242) is 7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine.
What is the SMILES notation for 7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine?
The canonical SMILES for 7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine is CNc1cc2ccc(-c3cc(F)ccc3Cl)cc2cn1.
What is the InChIKey of 7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine?
The InChIKey is IIWCUQAVWTZEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c1-19-16-7-10-2-3-11(6-12(10)9-20-16)14-8-13(18)4-5-15(14)17/h2-9H,1H3,(H,19,20).
What are the key properties of 7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine?
7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine has a molecular weight of 286.74 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-5-fluorophenyl)-N-methylisoquinolin-3-amine is sourced from PubChem (CID 57410242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).