7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one

C19H19F2N2OP — CID 170385856

IUPAC7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one
SMILESCCCCCn1ccc2cc(-c3ccc(F)cn3)c(F)c(P)c2c1=O
InChIInChI=1S/C19H19F2N2OP/c1-2-3-4-8-23-9-7-12-10-14(15-6-5-13(20)11-22-15)17(21)18(25)16(12)19(23)24/h5-7,9-11H,2-4,8,25H2,1H3
InChIKeyXEQFLTPDKRRQFA-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.03
Rot. Bonds5

About 7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one

7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one (PubChem CID 170385856) has the molecular formula C19H19F2N2OP and a molecular weight of 360.34 g/mol. Its IUPAC name is 7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one.

Molecular Properties

Compound Name7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one
PubChem CID170385856
Molecular FormulaC19H19F2N2OP
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one
SMILESCCCCCn1ccc2cc(-c3ccc(F)cn3)c(F)c(P)c2c1=O
InChIInChI=1S/C19H19F2N2OP/c1-2-3-4-8-23-9-7-12-10-14(15-6-5-13(20)11-22-15)17(21)18(25)16(12)19(23)24/h5-7,9-11H,2-4,8,25H2,1H3
InChIKeyXEQFLTPDKRRQFA-UHFFFAOYSA-N
XLogP4.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one?
The IUPAC name of 7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one (CID 170385856) is 7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one.
What is the SMILES notation for 7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one?
The canonical SMILES for 7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one is CCCCCn1ccc2cc(-c3ccc(F)cn3)c(F)c(P)c2c1=O.
What is the InChIKey of 7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one?
The InChIKey is XEQFLTPDKRRQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N2OP/c1-2-3-4-8-23-9-7-12-10-14(15-6-5-13(20)11-22-15)17(21)18(25)16(12)19(23)24/h5-7,9-11H,2-4,8,25H2,1H3.
What are the key properties of 7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one?
7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one has a molecular weight of 360.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(5-fluoro-2-pyridinyl)-2-pentyl-8-phosphanylisoquinolin-1-one is sourced from PubChem (CID 170385856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).