N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine

C21H26ClN3O — CID 511167

IUPACN'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCCCCCCN)c2c1
InChIInChI=1S/C21H26ClN3O/c1-26-16-8-10-19-18(14-16)21(24-12-6-4-2-3-5-11-23)17-9-7-15(22)13-20(17)25-19/h7-10,13-14H,2-6,11-12,23H2,1H3,(H,24,25)
InChIKeyDJMCJIRSZMPUDK-UHFFFAOYSA-N
MW371.91 g/mol
LogP5.37
Rot. Bonds9

About N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine

N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine (PubChem CID 511167) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine.

Molecular Properties

Compound NameN'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
PubChem CID511167
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC NameN'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCCCCCCN)c2c1
InChIInChI=1S/C21H26ClN3O/c1-26-16-8-10-19-18(14-16)21(24-12-6-4-2-3-5-11-23)17-9-7-15(22)13-20(17)25-19/h7-10,13-14H,2-6,11-12,23H2,1H3,(H,24,25)
InChIKeyDJMCJIRSZMPUDK-UHFFFAOYSA-N
XLogP5.37
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.91
LogP ≤ 55.37
H-Bond Donors ≤ 52
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,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218
N-(5-aminopentyl)-12-[(6-chloro-2-methoxyacridin-9-yl)amino]dodecanamide
CID 11513031
N-(6-chloro-2-methoxyacridin-9-yl)-N'-[11-[(6-chloro-2-methoxyacridin-9-yl)amino]undecyl]-N'-methylpentadecane-1,15-diamine
CID 154727097
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
CID 15329153
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709
N-(6-chloro-2-methoxyacridin-9-yl)-N'-methoxy-N'-methylethane-1,2-diamine
CID 170597932
6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine
CID 10748934
6-chloro-2-methoxy-N-(4-piperazin-1-ylbutyl)acridin-9-amine
CID 44531431
6-chloro-9-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethylamino]acridin-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 21198481
N-(6-chloro-2-methoxyacridin-9-yl)-N'-cyclopropyl-N'-ethylbutane-1,4-diamine
CID 71471685

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine?
The IUPAC name of N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine (CID 511167) is N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine.
What is the SMILES notation for N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine?
The canonical SMILES for N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine is COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCCN)c2c1.
What is the InChIKey of N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine?
The InChIKey is DJMCJIRSZMPUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-26-16-8-10-19-18(14-16)21(24-12-6-4-2-3-5-11-23)17-9-7-15(22)13-20(17)25-19/h7-10,13-14H,2-6,11-12,23H2,1H3,(H,24,25).
What are the key properties of N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine?
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine has a molecular weight of 371.91 g/mol, XLogP of 5.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine is sourced from PubChem (CID 511167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).