N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane

C22H31ClN2O — CID 166169543

IUPACN-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
SMILESCC.CC.CCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C18H19ClN2O.2C2H6/c1-3-4-9-20-18-14-7-5-12(19)10-17(14)21-16-8-6-13(22-2)11-15(16)18;2*1-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21);2*1-2H3
InChIKeyFBLCPHBVEKLCGU-UHFFFAOYSA-N
MW374.96 g/mol
LogP7.31
Rot. Bonds5

About N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane

N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane (PubChem CID 166169543) has the molecular formula C22H31ClN2O and a molecular weight of 374.96 g/mol. Its IUPAC name is N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane.

Molecular Properties

Compound NameN-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
PubChem CID166169543
Molecular FormulaC22H31ClN2O
Molecular Weight374.96 g/mol
Exact Mass374.21
IUPAC NameN-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
SMILESCC.CC.CCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C18H19ClN2O.2C2H6/c1-3-4-9-20-18-14-7-5-12(19)10-17(14)21-16-8-6-13(22-2)11-15(16)18;2*1-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21);2*1-2H3
InChIKeyFBLCPHBVEKLCGU-UHFFFAOYSA-N
XLogP7.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.96
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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',N'-diethylbutane-1,4-diamine
CID 22709
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
CID 15329153
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-(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
N-(6-chloro-2-methoxyacridin-9-yl)-N'-cyclopropyl-N'-ethylbutane-1,4-diamine
CID 71471685
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
2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine
CID 141235357

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane?
The IUPAC name of N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane (CID 166169543) is N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane.
What is the SMILES notation for N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane?
The canonical SMILES for N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane is CC.CC.CCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.
What is the InChIKey of N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane?
The InChIKey is FBLCPHBVEKLCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O.2C2H6/c1-3-4-9-20-18-14-7-5-12(19)10-17(14)21-16-8-6-13(22-2)11-15(16)18;2*1-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21);2*1-2H3.
What are the key properties of N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane?
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane has a molecular weight of 374.96 g/mol, XLogP of 7.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane is sourced from PubChem (CID 166169543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).