N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine

C20H13ClN4O2 — CID 44715031

IUPACN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine
SMILESO=[N+]([O-])c1cc(/C=N/Nc2c3ccccc3nc3ccccc23)ccc1Cl
InChIInChI=1S/C20H13ClN4O2/c21-16-10-9-13(11-19(16)25(26)27)12-22-24-20-14-5-1-3-7-17(14)23-18-8-4-2-6-15(18)20/h1-12H,(H,23,24)/b22-12+
InChIKeyYAJSMGYTYJWVMX-WSDLNYQXSA-N
MW376.80 g/mol
LogP5.40
Rot. Bonds4

About N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine

N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine (PubChem CID 44715031) has the molecular formula C20H13ClN4O2 and a molecular weight of 376.80 g/mol. Its IUPAC name is N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine.

Molecular Properties

Compound NameN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine
PubChem CID44715031
Molecular FormulaC20H13ClN4O2
Molecular Weight376.80 g/mol
Exact Mass376.07
IUPAC NameN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine
SMILESO=[N+]([O-])c1cc(/C=N/Nc2c3ccccc3nc3ccccc23)ccc1Cl
InChIInChI=1S/C20H13ClN4O2/c21-16-10-9-13(11-19(16)25(26)27)12-22-24-20-14-5-1-3-7-17(14)23-18-8-4-2-6-15(18)20/h1-12H,(H,23,24)/b22-12+
InChIKeyYAJSMGYTYJWVMX-WSDLNYQXSA-N
XLogP5.40
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.80
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 84924393
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline
CID 9014699
N-[(4-chloro-3-nitrophenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6799718
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 16959593
3-[2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596969
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methylaniline
CID 18269387
N-benzyl-N'-[(4-chloro-3-nitrophenyl)methylideneamino]butanediamide
CID 3282009
N-[(E)-(2,6-dichlorophenyl)methylideneamino]acridin-9-amine
CID 14089332
(E)-N-[(4-chloro-3-nitrophenyl)methylideneamino]-3-phenylprop-2-enamide
CID 19165148
1-benzyl-3-[(4-chloro-3-nitrophenyl)methylideneamino]thiourea
CID 3295851
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methoxyaniline
CID 110505397

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine?
The IUPAC name of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine (CID 44715031) is N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine.
What is the SMILES notation for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine?
The canonical SMILES for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine is O=[N+]([O-])c1cc(/C=N/Nc2c3ccccc3nc3ccccc23)ccc1Cl.
What is the InChIKey of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine?
The InChIKey is YAJSMGYTYJWVMX-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H13ClN4O2/c21-16-10-9-13(11-19(16)25(26)27)12-22-24-20-14-5-1-3-7-17(14)23-18-8-4-2-6-15(18)20/h1-12H,(H,23,24)/b22-12+.
What are the key properties of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine?
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine has a molecular weight of 376.80 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine is sourced from PubChem (CID 44715031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).