7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one

C18H13FN2O2 — CID 167859815

IUPAC7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one
SMILESO=C1NCCc2c1ccc(F)c2-c1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C18H13FN2O2/c19-14-5-4-13-12(7-8-20-18(13)23)17(14)11-2-1-10-3-6-16(22)21-15(10)9-11/h1-6,9H,7-8H2,(H,20,23)(H,21,22)
InChIKeyWIBAAAJXNLKIMP-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.62
Rot. Bonds1

About 7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one

7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one (PubChem CID 167859815) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one
PubChem CID167859815
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one
SMILESO=C1NCCc2c1ccc(F)c2-c1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C18H13FN2O2/c19-14-5-4-13-12(7-8-20-18(13)23)17(14)11-2-1-10-3-6-16(22)21-15(10)9-11/h1-6,9H,7-8H2,(H,20,23)(H,21,22)
InChIKeyWIBAAAJXNLKIMP-UHFFFAOYSA-N
XLogP2.62
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one?
The IUPAC name of 7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one (CID 167859815) is 7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one?
The canonical SMILES for 7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one is O=C1NCCc2c1ccc(F)c2-c1ccc2ccc(=O)[nH]c2c1.
What is the InChIKey of 7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one?
The InChIKey is WIBAAAJXNLKIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-14-5-4-13-12(7-8-20-18(13)23)17(14)11-2-1-10-3-6-16(22)21-15(10)9-11/h1-6,9H,7-8H2,(H,20,23)(H,21,22).
What are the key properties of 7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one?
7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one has a molecular weight of 308.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one is sourced from PubChem (CID 167859815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).