N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine

C24H16N4O3 — CID 44715002

IUPACN-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine
SMILESO=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3c4ccccc4nc4ccccc34)o2)cc1
InChIInChI=1S/C24H16N4O3/c29-28(30)17-11-9-16(10-12-17)23-14-13-18(31-23)15-25-27-24-19-5-1-3-7-21(19)26-22-8-4-2-6-20(22)24/h1-15H,(H,26,27)/b25-15+
InChIKeyLPCSQPGYIHCCEH-MFKUBSTISA-N
MW408.42 g/mol
LogP6.00
Rot. Bonds5

About N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine

N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine (PubChem CID 44715002) has the molecular formula C24H16N4O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine.

Molecular Properties

Compound NameN-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine
PubChem CID44715002
Molecular FormulaC24H16N4O3
Molecular Weight408.42 g/mol
Exact Mass408.12
IUPAC NameN-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine
SMILESO=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3c4ccccc4nc4ccccc34)o2)cc1
InChIInChI=1S/C24H16N4O3/c29-28(30)17-11-9-16(10-12-17)23-14-13-18(31-23)15-25-27-24-19-5-1-3-7-21(19)26-22-8-4-2-6-20(22)24/h1-15H,(H,26,27)/b25-15+
InChIKeyLPCSQPGYIHCCEH-MFKUBSTISA-N
XLogP6.00
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.42
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrafluoro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 4297577
2-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6029132
4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 11840307
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
2-ethyl-6-methyl-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 14956043
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
6-N-benzyl-2-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 56691185
3,5,6-trichloro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridin-2-amine
CID 3605941
N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 2313614
N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine
CID 71966888
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine
CID 7272693
3-(4-nitrophenyl)-2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]quinazolin-4-one
CID 177456358

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine?
The IUPAC name of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine (CID 44715002) is N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine.
What is the SMILES notation for N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine?
The canonical SMILES for N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine is O=[N+]([O-])c1ccc(-c2ccc(/C=N/Nc3c4ccccc4nc4ccccc34)o2)cc1.
What is the InChIKey of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine?
The InChIKey is LPCSQPGYIHCCEH-MFKUBSTISA-N. The full InChI is InChI=1S/C24H16N4O3/c29-28(30)17-11-9-16(10-12-17)23-14-13-18(31-23)15-25-27-24-19-5-1-3-7-21(19)26-22-8-4-2-6-20(22)24/h1-15H,(H,26,27)/b25-15+.
What are the key properties of N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine?
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine has a molecular weight of 408.42 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine is sourced from PubChem (CID 44715002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).