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4-[2-[4-Oxo-3,4-dihydro-3-quinazolinyl]ethoxy]benzaldehyde

HCID 21960168
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1ccc(OCCn2cnc3ccccc3c2=O)cc1
InChIKey
VDVZXPWZBARYTJ-UHFFFAOYSA-N
Molecular formula
C17H14N2O3
Average molar mass
294.3 g/mol

Names & identifiers

Preferred name
4-[2-[4-Oxo-3,4-dihydro-3-quinazolinyl]ethoxy]benzaldehyde
IUPAC
4-[2-(4-oxoquinazolin-3-yl)ethoxy]benzaldehyde

Names & synonyms

4-[2-[4-Oxo-3,4-dihydro-3-quinazolinyl]ethoxy]benzaldehyde199114-32-4SCHEMBL5935606VDVZXPWZBARYTJ-UHFFFAOYSA-NDB-3490164-[2-[4Oxo-3,4dihydro-3-quinazolinyl]ethoxy]benzaldehyde

Database identifiers

PubChem CID
21960168

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
59 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
430

Related reactions

8 records
New reaction record
HRID 382277 reaction equation
HRID 382277As productuspto-grants-2001_10
HRID 841990 reaction equation
HRID 841990As productuspto-grants-2002_04
HRID 1229614 reaction equation
HRID 1229614As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1368086 reaction equation
HRID 1368086As productuspto-grants-2003_06
HRID 1418992 reaction equation
HRID 1418992As productuspto-grants-1999_03
HRID 1837299 reaction equation
HRID 1837299As productuspto-grants-2004_08
HRID 1953086 reaction equation
HRID 1953086As productuspto-grants-2000_09
HRID 2211452 reaction equation
HRID 2211452As productuspto-grants-2006_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes