9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

C19H14N2O2 — CID 23178339

IUPAC9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3nccc4ccccc34)OCCN12
InChIInChI=1S/C19H14N2O2/c22-18-15-7-3-4-8-16(15)19(21(18)11-12-23-19)17-14-6-2-1-5-13(14)9-10-20-17/h1-10H,11-12H2
InChIKeyDOTHHIOLQDWDJR-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.92
Rot. Bonds1

About 9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 23178339) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID23178339
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3nccc4ccccc34)OCCN12
InChIInChI=1S/C19H14N2O2/c22-18-15-7-3-4-8-16(15)19(21(18)11-12-23-19)17-14-6-2-1-5-13(14)9-10-20-17/h1-10H,11-12H2
InChIKeyDOTHHIOLQDWDJR-UHFFFAOYSA-N
XLogP2.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of 9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 23178339) is 9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is O=C1c2ccccc2C2(c3nccc4ccccc34)OCCN12.
What is the InChIKey of 9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is DOTHHIOLQDWDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-18-15-7-3-4-8-16(15)19(21(18)11-12-23-19)17-14-6-2-1-5-13(14)9-10-20-17/h1-10H,11-12H2.
What are the key properties of 9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 302.33 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 23178339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).