3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride

C14H13Cl2N3 — CID 21498770

IUPAC3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride
SMILESCl.Cl.Nc1nc(-c2ccncc2)cc2ccccc12
InChIInChI=1S/C14H11N3.2ClH/c15-14-12-4-2-1-3-11(12)9-13(17-14)10-5-7-16-8-6-10;;/h1-9H,(H2,15,17);2*1H
InChIKeyDYEKLSGRKXAKMB-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.72
Rot. Bonds1

About 3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride

3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride (PubChem CID 21498770) has the molecular formula C14H13Cl2N3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride
PubChem CID21498770
Molecular FormulaC14H13Cl2N3
Molecular Weight294.19 g/mol
Exact Mass293.05
IUPAC Name3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride
SMILESCl.Cl.Nc1nc(-c2ccncc2)cc2ccccc12
InChIInChI=1S/C14H11N3.2ClH/c15-14-12-4-2-1-3-11(12)9-13(17-14)10-5-7-16-8-6-10;;/h1-9H,(H2,15,17);2*1H
InChIKeyDYEKLSGRKXAKMB-UHFFFAOYSA-N
XLogP3.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride?
The IUPAC name of 3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride (CID 21498770) is 3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride.
What is the SMILES notation for 3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride?
The canonical SMILES for 3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride is Cl.Cl.Nc1nc(-c2ccncc2)cc2ccccc12.
What is the InChIKey of 3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride?
The InChIKey is DYEKLSGRKXAKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3.2ClH/c15-14-12-4-2-1-3-11(12)9-13(17-14)10-5-7-16-8-6-10;;/h1-9H,(H2,15,17);2*1H.
What are the key properties of 3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride?
3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride has a molecular weight of 294.19 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-ylisoquinolin-1-amine;dihydrochloride is sourced from PubChem (CID 21498770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).