3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one

C16H12FNO — CID 166448434

IUPAC3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one
SMILESO=C1CC2c3ccccc3CN2c2ccc(F)cc21
InChIInChI=1S/C16H12FNO/c17-11-5-6-14-13(7-11)16(19)8-15-12-4-2-1-3-10(12)9-18(14)15/h1-7,15H,8-9H2
InChIKeyOFCZTMCYFWOSIB-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.47
Rot. Bonds

About 3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one

3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one (PubChem CID 166448434) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one.

Molecular Properties

Compound Name3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one
PubChem CID166448434
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one
SMILESO=C1CC2c3ccccc3CN2c2ccc(F)cc21
InChIInChI=1S/C16H12FNO/c17-11-5-6-14-13(7-11)16(19)8-15-12-4-2-1-3-10(12)9-18(14)15/h1-7,15H,8-9H2
InChIKeyOFCZTMCYFWOSIB-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one?
The IUPAC name of 3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one (CID 166448434) is 3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one.
What is the SMILES notation for 3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one?
The canonical SMILES for 3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one is O=C1CC2c3ccccc3CN2c2ccc(F)cc21.
What is the InChIKey of 3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one?
The InChIKey is OFCZTMCYFWOSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c17-11-5-6-14-13(7-11)16(19)8-15-12-4-2-1-3-10(12)9-18(14)15/h1-7,15H,8-9H2.
What are the key properties of 3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one?
3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one has a molecular weight of 253.28 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6a,11-dihydro-6H-isoindolo[2,1-a]quinolin-5-one is sourced from PubChem (CID 166448434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).