7-(3-chloro-4-pyridinyl)isoquinolin-3-amine

C14H10ClN3 — CID 71115734

IUPAC7-(3-chloro-4-pyridinyl)isoquinolin-3-amine
SMILESNc1cc2ccc(-c3ccncc3Cl)cc2cn1
InChIInChI=1S/C14H10ClN3/c15-13-8-17-4-3-12(13)10-2-1-9-6-14(16)18-7-11(9)5-10/h1-8H,(H2,16,18)
InChIKeyFNEMDGUCFLZZCN-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.53
Rot. Bonds1

About 7-(3-chloro-4-pyridinyl)isoquinolin-3-amine

7-(3-chloro-4-pyridinyl)isoquinolin-3-amine (PubChem CID 71115734) has the molecular formula C14H10ClN3 and a molecular weight of 255.71 g/mol. Its IUPAC name is 7-(3-chloro-4-pyridinyl)isoquinolin-3-amine.

Molecular Properties

Compound Name7-(3-chloro-4-pyridinyl)isoquinolin-3-amine
PubChem CID71115734
Molecular FormulaC14H10ClN3
Molecular Weight255.71 g/mol
Exact Mass255.06
IUPAC Name7-(3-chloro-4-pyridinyl)isoquinolin-3-amine
SMILESNc1cc2ccc(-c3ccncc3Cl)cc2cn1
InChIInChI=1S/C14H10ClN3/c15-13-8-17-4-3-12(13)10-2-1-9-6-14(16)18-7-11(9)5-10/h1-8H,(H2,16,18)
InChIKeyFNEMDGUCFLZZCN-UHFFFAOYSA-N
XLogP3.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-pyridinyl)isoquinolin-3-amine?
The IUPAC name of 7-(3-chloro-4-pyridinyl)isoquinolin-3-amine (CID 71115734) is 7-(3-chloro-4-pyridinyl)isoquinolin-3-amine.
What is the SMILES notation for 7-(3-chloro-4-pyridinyl)isoquinolin-3-amine?
The canonical SMILES for 7-(3-chloro-4-pyridinyl)isoquinolin-3-amine is Nc1cc2ccc(-c3ccncc3Cl)cc2cn1.
What is the InChIKey of 7-(3-chloro-4-pyridinyl)isoquinolin-3-amine?
The InChIKey is FNEMDGUCFLZZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3/c15-13-8-17-4-3-12(13)10-2-1-9-6-14(16)18-7-11(9)5-10/h1-8H,(H2,16,18).
What are the key properties of 7-(3-chloro-4-pyridinyl)isoquinolin-3-amine?
7-(3-chloro-4-pyridinyl)isoquinolin-3-amine has a molecular weight of 255.71 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-pyridinyl)isoquinolin-3-amine is sourced from PubChem (CID 71115734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).