9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one

C20H16N2O — CID 67917892

IUPAC9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cccc4ncccc34)CCCN12
InChIInChI=1S/C20H16N2O/c23-19-15-6-1-2-8-17(15)20(11-5-13-22(19)20)16-9-3-10-18-14(16)7-4-12-21-18/h1-4,6-10,12H,5,11,13H2
InChIKeyVNCVTOMMRWEUJR-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.73
Rot. Bonds1

About 9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one

9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one (PubChem CID 67917892) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
PubChem CID67917892
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cccc4ncccc34)CCCN12
InChIInChI=1S/C20H16N2O/c23-19-15-6-1-2-8-17(15)20(11-5-13-22(19)20)16-9-3-10-18-14(16)7-4-12-21-18/h1-4,6-10,12H,5,11,13H2
InChIKeyVNCVTOMMRWEUJR-UHFFFAOYSA-N
XLogP3.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one (CID 67917892) is 9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one is O=C1c2ccccc2C2(c3cccc4ncccc34)CCCN12.
What is the InChIKey of 9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
The InChIKey is VNCVTOMMRWEUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c23-19-15-6-1-2-8-17(15)20(11-5-13-22(19)20)16-9-3-10-18-14(16)7-4-12-21-18/h1-4,6-10,12H,5,11,13H2.
What are the key properties of 9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one has a molecular weight of 300.36 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-quinolin-5-yl-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one is sourced from PubChem (CID 67917892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).