3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one

C17H12FNO — CID 56639691

IUPAC3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one
SMILESCc1cc(F)cc2c(=O)n3c(cc12)-c1ccccc1C3
InChIInChI=1S/C17H12FNO/c1-10-6-12(18)7-15-14(10)8-16-13-5-3-2-4-11(13)9-19(16)17(15)20/h2-8H,9H2,1H3
InChIKeyWKAFVOMUPDLBSA-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.48
Rot. Bonds

About 3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one

3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one (PubChem CID 56639691) has the molecular formula C17H12FNO and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one.

Molecular Properties

Compound Name3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one
PubChem CID56639691
Molecular FormulaC17H12FNO
Molecular Weight265.29 g/mol
Exact Mass265.09
IUPAC Name3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one
SMILESCc1cc(F)cc2c(=O)n3c(cc12)-c1ccccc1C3
InChIInChI=1S/C17H12FNO/c1-10-6-12(18)7-15-14(10)8-16-13-5-3-2-4-11(13)9-19(16)17(15)20/h2-8H,9H2,1H3
InChIKeyWKAFVOMUPDLBSA-UHFFFAOYSA-N
XLogP3.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one?
The IUPAC name of 3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one (CID 56639691) is 3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one.
What is the SMILES notation for 3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one?
The canonical SMILES for 3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one is Cc1cc(F)cc2c(=O)n3c(cc12)-c1ccccc1C3.
What is the InChIKey of 3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one?
The InChIKey is WKAFVOMUPDLBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO/c1-10-6-12(18)7-15-14(10)8-16-13-5-3-2-4-11(13)9-19(16)17(15)20/h2-8H,9H2,1H3.
What are the key properties of 3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one?
3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one has a molecular weight of 265.29 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-7H-isoindolo[2,1-b]isoquinolin-5-one is sourced from PubChem (CID 56639691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).