4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde

C12H10N2O2 — CID 174292359

IUPAC4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde
SMILESO=CC1NCc2c1c(=O)[nH]c1ccccc21
InChIInChI=1S/C12H10N2O2/c15-6-10-11-8(5-13-10)7-3-1-2-4-9(7)14-12(11)16/h1-4,6,10,13H,5H2,(H,14,16)
InChIKeyFPHVYOIAUHNNCL-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.87
Rot. Bonds1

About 4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde

4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde (PubChem CID 174292359) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde
PubChem CID174292359
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde
SMILESO=CC1NCc2c1c(=O)[nH]c1ccccc21
InChIInChI=1S/C12H10N2O2/c15-6-10-11-8(5-13-10)7-3-1-2-4-9(7)14-12(11)16/h1-4,6,10,13H,5H2,(H,14,16)
InChIKeyFPHVYOIAUHNNCL-UHFFFAOYSA-N
XLogP0.87
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde?
The IUPAC name of 4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde (CID 174292359) is 4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde.
What is the SMILES notation for 4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde?
The canonical SMILES for 4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde is O=CC1NCc2c1c(=O)[nH]c1ccccc21.
What is the InChIKey of 4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde?
The InChIKey is FPHVYOIAUHNNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-6-10-11-8(5-13-10)7-3-1-2-4-9(7)14-12(11)16/h1-4,6,10,13H,5H2,(H,14,16).
What are the key properties of 4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde?
4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde has a molecular weight of 214.22 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1,2,3,5-tetrahydropyrrolo[3,4-c]quinoline-3-carbaldehyde is sourced from PubChem (CID 174292359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).