2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

C22H21FN2O2 — CID 68527850

IUPAC2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3cc(F)ccc13)Cc1c(CNC3CCOCC3)cccc1-2
InChIInChI=1S/C22H21FN2O2/c23-14-4-5-17-19(10-14)20-11-18-13(12-24-15-6-8-27-9-7-15)2-1-3-16(18)21(20)25-22(17)26/h1-5,10,15,24H,6-9,11-12H2,(H,25,26)
InChIKeyBZKZHSFKOPYDGC-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.51
Rot. Bonds3

About 2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 68527850) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
PubChem CID68527850
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3cc(F)ccc13)Cc1c(CNC3CCOCC3)cccc1-2
InChIInChI=1S/C22H21FN2O2/c23-14-4-5-17-19(10-14)20-11-18-13(12-24-15-6-8-27-9-7-15)2-1-3-16(18)21(20)25-22(17)26/h1-5,10,15,24H,6-9,11-12H2,(H,25,26)
InChIKeyBZKZHSFKOPYDGC-UHFFFAOYSA-N
XLogP3.51
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (CID 68527850) is 2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is O=c1[nH]c2c(c3cc(F)ccc13)Cc1c(CNC3CCOCC3)cccc1-2.
What is the InChIKey of 2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is BZKZHSFKOPYDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-14-4-5-17-19(10-14)20-11-18-13(12-24-15-6-8-27-9-7-15)2-1-3-16(18)21(20)25-22(17)26/h1-5,10,15,24H,6-9,11-12H2,(H,25,26).
What are the key properties of 2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one has a molecular weight of 364.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 68527850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).