9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one

C16H11N3O — CID 69242237

IUPAC9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
SMILESO=C1NCc2nc3ccccc3c(-c3cccnc3)c21
InChIInChI=1S/C16H11N3O/c20-16-15-13(9-18-16)19-12-6-2-1-5-11(12)14(15)10-4-3-7-17-8-10/h1-8H,9H2,(H,18,20)
InChIKeyZMRCWQXGSALPNU-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.54
Rot. Bonds1

About 9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one

9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one (PubChem CID 69242237) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
PubChem CID69242237
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
SMILESO=C1NCc2nc3ccccc3c(-c3cccnc3)c21
InChIInChI=1S/C16H11N3O/c20-16-15-13(9-18-16)19-12-6-2-1-5-11(12)14(15)10-4-3-7-17-8-10/h1-8H,9H2,(H,18,20)
InChIKeyZMRCWQXGSALPNU-UHFFFAOYSA-N
XLogP2.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one (CID 69242237) is 9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one is O=C1NCc2nc3ccccc3c(-c3cccnc3)c21.
What is the InChIKey of 9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
The InChIKey is ZMRCWQXGSALPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-16-15-13(9-18-16)19-12-6-2-1-5-11(12)14(15)10-4-3-7-17-8-10/h1-8H,9H2,(H,18,20).
What are the key properties of 9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one?
9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one has a molecular weight of 261.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 69242237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).