4-(acridin-9-ylamino)benzaldehyde

C20H14N2O — CID 125465000

IUPAC4-(acridin-9-ylamino)benzaldehyde
SMILESO=Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C20H14N2O/c23-13-14-9-11-15(12-10-14)21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1-13H,(H,21,22)
InChIKeyYEUJBWMQBZSBTK-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.94
Rot. Bonds3

About 4-(acridin-9-ylamino)benzaldehyde

4-(acridin-9-ylamino)benzaldehyde (PubChem CID 125465000) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-(acridin-9-ylamino)benzaldehyde.

Molecular Properties

Compound Name4-(acridin-9-ylamino)benzaldehyde
PubChem CID125465000
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name4-(acridin-9-ylamino)benzaldehyde
SMILESO=Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C20H14N2O/c23-13-14-9-11-15(12-10-14)21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1-13H,(H,21,22)
InChIKeyYEUJBWMQBZSBTK-UHFFFAOYSA-N
XLogP4.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(acridin-9-ylamino)benzaldehyde?
The IUPAC name of 4-(acridin-9-ylamino)benzaldehyde (CID 125465000) is 4-(acridin-9-ylamino)benzaldehyde.
What is the SMILES notation for 4-(acridin-9-ylamino)benzaldehyde?
The canonical SMILES for 4-(acridin-9-ylamino)benzaldehyde is O=Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of 4-(acridin-9-ylamino)benzaldehyde?
The InChIKey is YEUJBWMQBZSBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c23-13-14-9-11-15(12-10-14)21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1-13H,(H,21,22).
What are the key properties of 4-(acridin-9-ylamino)benzaldehyde?
4-(acridin-9-ylamino)benzaldehyde has a molecular weight of 298.35 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acridin-9-ylamino)benzaldehyde is sourced from PubChem (CID 125465000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).