9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde

C12H10N2O2 — CID 13171281

IUPAC9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde
SMILESO=CC1CCn2c1nc1ccccc1c2=O
InChIInChI=1S/C12H10N2O2/c15-7-8-5-6-14-11(8)13-10-4-2-1-3-9(10)12(14)16/h1-4,7-8H,5-6H2
InChIKeyDEPOHBYNDHQAGG-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.08
Rot. Bonds1

About 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde

9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde (PubChem CID 13171281) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde.

Molecular Properties

Compound Name9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde
PubChem CID13171281
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde
SMILESO=CC1CCn2c1nc1ccccc1c2=O
InChIInChI=1S/C12H10N2O2/c15-7-8-5-6-14-11(8)13-10-4-2-1-3-9(10)12(14)16/h1-4,7-8H,5-6H2
InChIKeyDEPOHBYNDHQAGG-UHFFFAOYSA-N
XLogP1.08
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde?
The IUPAC name of 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde (CID 13171281) is 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde.
What is the SMILES notation for 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde?
The canonical SMILES for 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde is O=CC1CCn2c1nc1ccccc1c2=O.
What is the InChIKey of 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde?
The InChIKey is DEPOHBYNDHQAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-7-8-5-6-14-11(8)13-10-4-2-1-3-9(10)12(14)16/h1-4,7-8H,5-6H2.
What are the key properties of 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde?
9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde has a molecular weight of 214.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-3-carbaldehyde is sourced from PubChem (CID 13171281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).