2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine

C23H30ClN3O — CID 141235357

IUPAC2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine
SMILESCCCC(C)(Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12)N(CC)CC
InChIInChI=1S/C23H30ClN3O/c1-6-13-23(4,27(7-2)8-3)26-22-18-11-9-16(24)14-21(18)25-20-12-10-17(28-5)15-19(20)22/h9-12,14-15H,6-8,13H2,1-5H3,(H,25,26)
InChIKeySGCIEICPYWBIMY-UHFFFAOYSA-N
MW399.97 g/mol
LogP6.32
Rot. Bonds8

About 2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine

2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine (PubChem CID 141235357) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is 2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine.

Molecular Properties

Compound Name2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine
PubChem CID141235357
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC Name2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine
SMILESCCCC(C)(Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12)N(CC)CC
InChIInChI=1S/C23H30ClN3O/c1-6-13-23(4,27(7-2)8-3)26-22-18-11-9-16(24)14-21(18)25-20-12-10-17(28-5)15-19(20)22/h9-12,14-15H,6-8,13H2,1-5H3,(H,25,26)
InChIKeySGCIEICPYWBIMY-UHFFFAOYSA-N
XLogP6.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.97
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
CID 15329153
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
N-(6-chloro-2-methoxyacridin-9-yl)-N'-methoxy-N'-methylethane-1,2-diamine
CID 170597932
butane;4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 176972900
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
N-(6-chloro-2-methoxyacridin-9-yl)-N'-[11-[(6-chloro-2-methoxyacridin-9-yl)amino]undecyl]-N'-methylpentadecane-1,15-diamine
CID 154727097
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 76971372
N-(6-chloro-2-methoxyacridin-9-yl)-N'-cyclopropyl-N'-ethylbutane-1,4-diamine
CID 71471685
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrate;dihydrochloride
CID 6604502

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine?
The IUPAC name of 2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine (CID 141235357) is 2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine.
What is the SMILES notation for 2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine?
The canonical SMILES for 2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine is CCCC(C)(Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12)N(CC)CC.
What is the InChIKey of 2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine?
The InChIKey is SGCIEICPYWBIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O/c1-6-13-23(4,27(7-2)8-3)26-22-18-11-9-16(24)14-21(18)25-20-12-10-17(28-5)15-19(20)22/h9-12,14-15H,6-8,13H2,1-5H3,(H,25,26).
What are the key properties of 2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine?
2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine has a molecular weight of 399.97 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine is sourced from PubChem (CID 141235357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).