6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine

C24H31ClN2O — CID 20753270

IUPAC6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine
SMILESCCC(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C24H31ClN2O/c1-5-17(6-2)9-7-8-16(3)26-24-20-12-10-18(25)14-23(20)27-22-13-11-19(28-4)15-21(22)24/h10-17H,5-9H2,1-4H3,(H,26,27)
InChIKeyJXUDCWNCWRFXEM-UHFFFAOYSA-N
MW398.98 g/mol
LogP7.46
Rot. Bonds9

About 6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine

6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine (PubChem CID 20753270) has the molecular formula C24H31ClN2O and a molecular weight of 398.98 g/mol. Its IUPAC name is 6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine.

Molecular Properties

Compound Name6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine
PubChem CID20753270
Molecular FormulaC24H31ClN2O
Molecular Weight398.98 g/mol
Exact Mass398.21
IUPAC Name6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine
SMILESCCC(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C24H31ClN2O/c1-5-17(6-2)9-7-8-16(3)26-24-20-12-10-18(25)14-23(20)27-22-13-11-19(28-4)15-21(22)24/h10-17H,5-9H2,1-4H3,(H,26,27)
InChIKeyJXUDCWNCWRFXEM-UHFFFAOYSA-N
XLogP7.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.98
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 76971372
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrate;dihydrochloride
CID 6604502
4-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl-diethyl-propan-2-ylazanium
CID 163985999
butane;4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 176972900
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-N,N-diethylpentan-1-amine oxide;dihydrochloride
CID 129318847
5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride
CID 44531335
(4S)-1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine
CID 21158865
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine azide
CID 21151312
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;methanesulfonic acid
CID 23616783
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N-(cyclopropylmethyl)-1-N-methylpentane-1,4-diamine
CID 71471956
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine?
The IUPAC name of 6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine (CID 20753270) is 6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine.
What is the SMILES notation for 6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine?
The canonical SMILES for 6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine is CCC(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12.
What is the InChIKey of 6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine?
The InChIKey is JXUDCWNCWRFXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O/c1-5-17(6-2)9-7-8-16(3)26-24-20-12-10-18(25)14-23(20)27-22-13-11-19(28-4)15-21(22)24/h10-17H,5-9H2,1-4H3,(H,26,27).
What are the key properties of 6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine?
6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine has a molecular weight of 398.98 g/mol, XLogP of 7.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine is sourced from PubChem (CID 20753270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).