5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one

C18H13FN2O — CID 167762288

IUPAC5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one
SMILESCn1cc(-c2cc(F)c3cc[nH]c(=O)c3c2)c2ccccc21
InChIInChI=1S/C18H13FN2O/c1-21-10-15(13-4-2-3-5-17(13)21)11-8-14-12(16(19)9-11)6-7-20-18(14)22/h2-10H,1H3,(H,20,22)
InChIKeyYBJFLYHOGLBFEG-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.83
Rot. Bonds1

About 5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one

5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one (PubChem CID 167762288) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one
PubChem CID167762288
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one
SMILESCn1cc(-c2cc(F)c3cc[nH]c(=O)c3c2)c2ccccc21
InChIInChI=1S/C18H13FN2O/c1-21-10-15(13-4-2-3-5-17(13)21)11-8-14-12(16(19)9-11)6-7-20-18(14)22/h2-10H,1H3,(H,20,22)
InChIKeyYBJFLYHOGLBFEG-UHFFFAOYSA-N
XLogP3.83
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one?
The IUPAC name of 5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one (CID 167762288) is 5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one.
What is the SMILES notation for 5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one?
The canonical SMILES for 5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one is Cn1cc(-c2cc(F)c3cc[nH]c(=O)c3c2)c2ccccc21.
What is the InChIKey of 5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one?
The InChIKey is YBJFLYHOGLBFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c1-21-10-15(13-4-2-3-5-17(13)21)11-8-14-12(16(19)9-11)6-7-20-18(14)22/h2-10H,1H3,(H,20,22).
What are the key properties of 5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one?
5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one has a molecular weight of 292.31 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(1-methylindol-3-yl)-2H-isoquinolin-1-one is sourced from PubChem (CID 167762288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).