8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one

C21H22ClN3O2 — CID 53326075

IUPAC8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one
SMILESCCCn1ccc2cc(-c3ccc(N4CCOCC4)nc3)cc(Cl)c2c1=O
InChIInChI=1S/C21H22ClN3O2/c1-2-6-25-7-5-15-12-17(13-18(22)20(15)21(25)26)16-3-4-19(23-14-16)24-8-10-27-11-9-24/h3-5,7,12-14H,2,6,8-11H2,1H3
InChIKeyACSHXOLSUYKZPQ-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.96
Rot. Bonds4

About 8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one

8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one (PubChem CID 53326075) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one.

Molecular Properties

Compound Name8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one
PubChem CID53326075
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one
SMILESCCCn1ccc2cc(-c3ccc(N4CCOCC4)nc3)cc(Cl)c2c1=O
InChIInChI=1S/C21H22ClN3O2/c1-2-6-25-7-5-15-12-17(13-18(22)20(15)21(25)26)16-3-4-19(23-14-16)24-8-10-27-11-9-24/h3-5,7,12-14H,2,6,8-11H2,1H3
InChIKeyACSHXOLSUYKZPQ-UHFFFAOYSA-N
XLogP3.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one?
The IUPAC name of 8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one (CID 53326075) is 8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one.
What is the SMILES notation for 8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one?
The canonical SMILES for 8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one is CCCn1ccc2cc(-c3ccc(N4CCOCC4)nc3)cc(Cl)c2c1=O.
What is the InChIKey of 8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one?
The InChIKey is ACSHXOLSUYKZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-2-6-25-7-5-15-12-17(13-18(22)20(15)21(25)26)16-3-4-19(23-14-16)24-8-10-27-11-9-24/h3-5,7,12-14H,2,6,8-11H2,1H3.
What are the key properties of 8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one?
8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one has a molecular weight of 383.88 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(6-morpholin-4-yl-3-pyridinyl)-2-propylisoquinolin-1-one is sourced from PubChem (CID 53326075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).