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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Related Compounds

4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
4-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholine
CID 141372459
2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one
CID 123765235
4-(4-chloro-5-methyl-2-pyridinyl)morpholine
CID 142202781
6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one
CID 167813656
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine
CID 140829386
6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-amine
CID 117085161
7-(6-morpholin-4-yl-3-pyridinyl)-5-(4-propylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 11102108
2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde
CID 59599778
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181

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).