4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde

C15H12N2O2 — CID 28822379

IUPAC4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde
SMILESO=Cc1ccc(N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H12N2O2/c18-10-11-5-7-12(8-6-11)17-9-15(19)16-13-3-1-2-4-14(13)17/h1-8,10H,9H2,(H,16,19)
InChIKeyVSMKOQVFGXDKLJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.59
Rot. Bonds2

About 4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde

4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde (PubChem CID 28822379) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde
PubChem CID28822379
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde
SMILESO=Cc1ccc(N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H12N2O2/c18-10-11-5-7-12(8-6-11)17-9-15(19)16-13-3-1-2-4-14(13)17/h1-8,10H,9H2,(H,16,19)
InChIKeyVSMKOQVFGXDKLJ-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one
CID 79290826
4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one
CID 83121972
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 28822343
4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 115938928
4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one
CID 15894106
4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one
CID 80726419
4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 28822158
potassium;hydride;1-phenylimidazolidine-2,4-dione
CID 173461566
4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 139668299
4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
CID 115994549
4-aminooxy-1,3-dihydroquinoxalin-2-one
CID 176828286

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde?
The IUPAC name of 4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde (CID 28822379) is 4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde.
What is the SMILES notation for 4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde?
The canonical SMILES for 4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde is O=Cc1ccc(N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde?
The InChIKey is VSMKOQVFGXDKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-10-11-5-7-12(8-6-11)17-9-15(19)16-13-3-1-2-4-14(13)17/h1-8,10H,9H2,(H,16,19).
What are the key properties of 4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde?
4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde has a molecular weight of 252.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde is sourced from PubChem (CID 28822379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).