N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine

C24H32ClN3O — CID 15329153

IUPACN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
SMILESCCN(CC)CCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C24H32ClN3O/c1-4-28(5-2)15-9-7-6-8-14-26-24-20-12-10-18(25)16-23(20)27-22-13-11-19(29-3)17-21(22)24/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,26,27)
InChIKeyAKMRCRSBVXSYQI-UHFFFAOYSA-N
MW413.99 g/mol
LogP6.36
Rot. Bonds11

About N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine

N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine (PubChem CID 15329153) has the molecular formula C24H32ClN3O and a molecular weight of 413.99 g/mol. Its IUPAC name is N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine.

Molecular Properties

Compound NameN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
PubChem CID15329153
Molecular FormulaC24H32ClN3O
Molecular Weight413.99 g/mol
Exact Mass413.22
IUPAC NameN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
SMILESCCN(CC)CCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C24H32ClN3O/c1-4-28(5-2)15-9-7-6-8-14-26-24-20-12-10-18(25)16-23(20)27-22-13-11-19(29-3)17-21(22)24/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,26,27)
InChIKeyAKMRCRSBVXSYQI-UHFFFAOYSA-N
XLogP6.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.99
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
N-(6-chloro-2-methoxyacridin-9-yl)-N'-[11-[(6-chloro-2-methoxyacridin-9-yl)amino]undecyl]-N'-methylpentadecane-1,15-diamine
CID 154727097
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
N-(6-chloro-2-methoxyacridin-9-yl)-N'-cyclopropyl-N'-ethylbutane-1,4-diamine
CID 71471685
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine
CID 71471687
N-(6-chloro-2-methoxyacridin-9-yl)-N'-methoxy-N'-methylethane-1,2-diamine
CID 170597932
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 76971372
butane;4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 176972900
(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 N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine?
The IUPAC name of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine (CID 15329153) is N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine.
What is the SMILES notation for N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine?
The canonical SMILES for N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine is CCN(CC)CCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.
What is the InChIKey of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine?
The InChIKey is AKMRCRSBVXSYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O/c1-4-28(5-2)15-9-7-6-8-14-26-24-20-12-10-18(25)16-23(20)27-22-13-11-19(29-3)17-21(22)24/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,26,27).
What are the key properties of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine?
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine has a molecular weight of 413.99 g/mol, XLogP of 6.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine is sourced from PubChem (CID 15329153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).