7-pyridin-4-ylisoquinolin-1-amine

C14H11N3 — CID 44533028

IUPAC7-pyridin-4-ylisoquinolin-1-amine
SMILESNc1nccc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C14H11N3/c15-14-13-9-12(10-3-6-16-7-4-10)2-1-11(13)5-8-17-14/h1-9H,(H2,15,17)
InChIKeyFVXXEOQAWLACLR-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.88
Rot. Bonds1

About 7-pyridin-4-ylisoquinolin-1-amine

7-pyridin-4-ylisoquinolin-1-amine (PubChem CID 44533028) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 7-pyridin-4-ylisoquinolin-1-amine.

Molecular Properties

Compound Name7-pyridin-4-ylisoquinolin-1-amine
PubChem CID44533028
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name7-pyridin-4-ylisoquinolin-1-amine
SMILESNc1nccc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C14H11N3/c15-14-13-9-12(10-3-6-16-7-4-10)2-1-11(13)5-8-17-14/h1-9H,(H2,15,17)
InChIKeyFVXXEOQAWLACLR-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-4-ylisoquinolin-1-amine?
The IUPAC name of 7-pyridin-4-ylisoquinolin-1-amine (CID 44533028) is 7-pyridin-4-ylisoquinolin-1-amine.
What is the SMILES notation for 7-pyridin-4-ylisoquinolin-1-amine?
The canonical SMILES for 7-pyridin-4-ylisoquinolin-1-amine is Nc1nccc2ccc(-c3ccncc3)cc12.
What is the InChIKey of 7-pyridin-4-ylisoquinolin-1-amine?
The InChIKey is FVXXEOQAWLACLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-14-13-9-12(10-3-6-16-7-4-10)2-1-11(13)5-8-17-14/h1-9H,(H2,15,17).
What are the key properties of 7-pyridin-4-ylisoquinolin-1-amine?
7-pyridin-4-ylisoquinolin-1-amine has a molecular weight of 221.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-4-ylisoquinolin-1-amine is sourced from PubChem (CID 44533028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).