9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane

C23H24Cl2N4 — CID 171793158

IUPAC9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane
SMILESCC.NCCNc1c2cc(Cl)ccc2nc2ccc(Nc3ccc(Cl)cc3)cc12
InChIInChI=1S/C21H18Cl2N4.C2H6/c22-13-1-4-15(5-2-13)26-16-6-8-20-18(12-16)21(25-10-9-24)17-11-14(23)3-7-19(17)27-20;1-2/h1-8,11-12,26H,9-10,24H2,(H,25,27);1-2H3
InChIKeyMXCFGKFIWPRSOR-UHFFFAOYSA-N
MW427.38 g/mol
LogP6.84
Rot. Bonds5

About 9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane

9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane (PubChem CID 171793158) has the molecular formula C23H24Cl2N4 and a molecular weight of 427.38 g/mol. Its IUPAC name is 9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane.

Molecular Properties

Compound Name9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane
PubChem CID171793158
Molecular FormulaC23H24Cl2N4
Molecular Weight427.38 g/mol
Exact Mass426.14
IUPAC Name9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane
SMILESCC.NCCNc1c2cc(Cl)ccc2nc2ccc(Nc3ccc(Cl)cc3)cc12
InChIInChI=1S/C21H18Cl2N4.C2H6/c22-13-1-4-15(5-2-13)26-16-6-8-20-18(12-16)21(25-10-9-24)17-11-14(23)3-7-19(17)27-20;1-2/h1-8,11-12,26H,9-10,24H2,(H,25,27);1-2H3
InChIKeyMXCFGKFIWPRSOR-UHFFFAOYSA-N
XLogP6.84
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 56.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3,4-dimethylphenyl)-9-N-propylacridine-2,9-diamine
CID 171793409
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
1-N-(2-chloroacridin-9-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 177371668
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
2-N-(3,4-dichlorophenyl)-9-N-[2-(methylamino)ethyl]-7-(trifluoromethyl)acridine-2,9-diamine;methanimidamide
CID 171793793
4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide
CID 127036798
4-N-(6-chloro-2-methoxyacridin-9-yl)benzene-1,4-diamine
CID 56666124
(4,6-dichloroquinazolin-2-yl)methanamine
CID 105485144
6-chloro-2-methyl-N-(4-methylphenyl)quinolin-4-amine
CID 730830
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709

Frequently Asked Questions

What is the IUPAC name of 9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane?
The IUPAC name of 9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane (CID 171793158) is 9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane.
What is the SMILES notation for 9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane?
The canonical SMILES for 9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane is CC.NCCNc1c2cc(Cl)ccc2nc2ccc(Nc3ccc(Cl)cc3)cc12.
What is the InChIKey of 9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane?
The InChIKey is MXCFGKFIWPRSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4.C2H6/c22-13-1-4-15(5-2-13)26-16-6-8-20-18(12-16)21(25-10-9-24)17-11-14(23)3-7-19(17)27-20;1-2/h1-8,11-12,26H,9-10,24H2,(H,25,27);1-2H3.
What are the key properties of 9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane?
9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane has a molecular weight of 427.38 g/mol, XLogP of 6.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-(2-aminoethyl)-7-chloro-2-N-(4-chlorophenyl)acridine-2,9-diamine;ethane is sourced from PubChem (CID 171793158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).