8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one

C18H16ClFN2O2 — CID 53320818

IUPAC8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one
SMILESCCCn1ccc2cc(-c3cnc(OC)c(F)c3)cc(Cl)c2c1=O
InChIInChI=1S/C18H16ClFN2O2/c1-3-5-22-6-4-11-7-12(8-14(19)16(11)18(22)23)13-9-15(20)17(24-2)21-10-13/h4,6-10H,3,5H2,1-2H3
InChIKeyQPEGUWNBLFWXSU-UHFFFAOYSA-N
MW346.79 g/mol
LogP4.27
Rot. Bonds4

About 8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one

8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one (PubChem CID 53320818) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one.

Molecular Properties

Compound Name8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one
PubChem CID53320818
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one
SMILESCCCn1ccc2cc(-c3cnc(OC)c(F)c3)cc(Cl)c2c1=O
InChIInChI=1S/C18H16ClFN2O2/c1-3-5-22-6-4-11-7-12(8-14(19)16(11)18(22)23)13-9-15(20)17(24-2)21-10-13/h4,6-10H,3,5H2,1-2H3
InChIKeyQPEGUWNBLFWXSU-UHFFFAOYSA-N
XLogP4.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dichloro-N-[4,4-difluoro-1-(6-methoxy-pyridin-3-yl)-cyclohexylmethyl]-benzamide
CID 86716277
8-Chloro-2-propyl-6-[4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]isoquinolin-1-one
CID 46917791
8-Chloro-6-(6-phenoxy-3-pyridinyl)-2-propylisoquinolin-1-one
CID 53320175
8-Chloro-2-propyl-6-(4-pyridin-4-yloxyphenyl)isoquinolin-1-one
CID 53321493
8-Chloro-2-propyl-6-(2-pyridin-3-ylethoxy)isoquinolin-1-one
CID 53322148
8-Chloro-6-(6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one
CID 53322149
8-Chloro-2-propyl-6-(3-pyridin-3-ylpropoxy)isoquinolin-1-one
CID 53323492
8-Chloro-6-[6-(2-phenylethoxy)-3-pyridinyl]-2-propylisoquinolin-1-one
CID 53325450
8-Chloro-6-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2-propylisoquinolin-1-one
CID 53325452
8-Chloro-2-propyl-6-[6-(pyridin-3-ylmethoxy)-3-pyridinyl]isoquinolin-1-one
CID 53326709
4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide
CID 164618143
8-Chloro-2-propyl-6-[4-(pyridin-3-ylmethoxy)phenyl]isoquinolin-1-one
CID 53325451

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one?
The IUPAC name of 8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one (CID 53320818) is 8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one.
What is the SMILES notation for 8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one?
The canonical SMILES for 8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one is CCCn1ccc2cc(-c3cnc(OC)c(F)c3)cc(Cl)c2c1=O.
What is the InChIKey of 8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one?
The InChIKey is QPEGUWNBLFWXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-3-5-22-6-4-11-7-12(8-14(19)16(11)18(22)23)13-9-15(20)17(24-2)21-10-13/h4,6-10H,3,5H2,1-2H3.
What are the key properties of 8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one?
8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one has a molecular weight of 346.79 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-propylisoquinolin-1-one is sourced from PubChem (CID 53320818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).