7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one

C18H15FN2O — CID 66911306

IUPAC7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
SMILESO=C1CCC2C=C(c3cncc4ccccc34)C(F)=CC2N1
InChIInChI=1S/C18H15FN2O/c19-16-8-17-11(5-6-18(22)21-17)7-14(16)15-10-20-9-12-3-1-2-4-13(12)15/h1-4,7-11,17H,5-6H2,(H,21,22)
InChIKeyVNSLNHYVTPSMMO-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.38
Rot. Bonds1

About 7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one

7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one (PubChem CID 66911306) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
PubChem CID66911306
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one
SMILESO=C1CCC2C=C(c3cncc4ccccc34)C(F)=CC2N1
InChIInChI=1S/C18H15FN2O/c19-16-8-17-11(5-6-18(22)21-17)7-14(16)15-10-20-9-12-3-1-2-4-13(12)15/h1-4,7-11,17H,5-6H2,(H,21,22)
InChIKeyVNSLNHYVTPSMMO-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one (CID 66911306) is 7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one is O=C1CCC2C=C(c3cncc4ccccc34)C(F)=CC2N1.
What is the InChIKey of 7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
The InChIKey is VNSLNHYVTPSMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-16-8-17-11(5-6-18(22)21-17)7-14(16)15-10-20-9-12-3-1-2-4-13(12)15/h1-4,7-11,17H,5-6H2,(H,21,22).
What are the key properties of 7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one?
7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one has a molecular weight of 294.33 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-isoquinolin-4-yl-3,4,4a,8a-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 66911306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).