N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine)

C171H212Cl4N18O8 — CID 161428502

IUPACN'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine)
SMILESCCCCCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.CCCCCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.CCCCCNc1c2ccc(C)cc2nc2ccc(OC)cc12.CCCCCNc1c2ccc(C)cc2nc2ccc(OC)cc12.CCCCN(C)CCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.CCCCNCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.CCCNc1c2ccc(C)cc2nc2ccc(OC)cc12.CCCNc1c2ccc(C)cc2nc2ccc(OC)cc12
InChIInChI=1S/C24H32ClN3O.2C24H31ClN2O.C23H30ClN3O.2C20H24N2O.2C18H20N2O/c1-4-5-14-28(2)15-8-6-7-13-26-24-20-11-9-18(25)16-23(20)27-22-12-10-19(29-3)17-21(22)24;2*1-3-4-5-6-7-8-9-10-15-26-24-20-13-11-18(25)16-23(20)27-22-14-12-19(28-2)17-21(22)24;1-3-4-12-25-13-6-5-7-14-26-23-19-10-8-17(24)15-22(19)27-21-11-9-18(28-2)16-20(21)23;2*1-4-5-6-11-21-20-16-9-7-14(2)12-19(16)22-18-10-8-15(23-3)13-17(18)20;2*1-4-9-19-18-14-7-5-12(2)10-17(14)20-16-8-6-13(21-3)11-15(16)18/h9-12,16-17H,4-8,13-15H2,1-3H3,(H,26,27);2*11-14,16-17H,3-10,15H2,1-2H3,(H,26,27);8-11,15-16,25H,3-7,12-14H2,1-2H3,(H,26,27);2*7-10,12-13H,4-6,11H2,1-3H3,(H,21,22);2*5-8,10-11H,4,9H2,1-3H3,(H,19,20)
InChIKeyVXRQKRJXBOBJRX-UHFFFAOYSA-N
MW2789.51 g/mol
LogP47.26
Rot. Bonds64

About N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine)

N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine) (PubChem CID 161428502) has the molecular formula C171H212Cl4N18O8 and a molecular weight of 2789.51 g/mol. Its IUPAC name is N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine).

Molecular Properties

Compound NameN'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine)
PubChem CID161428502
Molecular FormulaC171H212Cl4N18O8
Molecular Weight2789.51 g/mol
Exact Mass2785.55
IUPAC NameN'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine)
SMILESCCCCCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.CCCCCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.CCCCCNc1c2ccc(C)cc2nc2ccc(OC)cc12.CCCCCNc1c2ccc(C)cc2nc2ccc(OC)cc12.CCCCN(C)CCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.CCCCNCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.CCCNc1c2ccc(C)cc2nc2ccc(OC)cc12.CCCNc1c2ccc(C)cc2nc2ccc(OC)cc12
InChIInChI=1S/C24H32ClN3O.2C24H31ClN2O.C23H30ClN3O.2C20H24N2O.2C18H20N2O/c1-4-5-14-28(2)15-8-6-7-13-26-24-20-11-9-18(25)16-23(20)27-22-12-10-19(29-3)17-21(22)24;2*1-3-4-5-6-7-8-9-10-15-26-24-20-13-11-18(25)16-23(20)27-22-14-12-19(28-2)17-21(22)24;1-3-4-12-25-13-6-5-7-14-26-23-19-10-8-17(24)15-22(19)27-21-11-9-18(28-2)16-20(21)23;2*1-4-5-6-11-21-20-16-9-7-14(2)12-19(16)22-18-10-8-15(23-3)13-17(18)20;2*1-4-9-19-18-14-7-5-12(2)10-17(14)20-16-8-6-13(21-3)11-15(16)18/h9-12,16-17H,4-8,13-15H2,1-3H3,(H,26,27);2*11-14,16-17H,3-10,15H2,1-2H3,(H,26,27);8-11,15-16,25H,3-7,12-14H2,1-2H3,(H,26,27);2*7-10,12-13H,4-6,11H2,1-3H3,(H,21,22);2*5-8,10-11H,4,9H2,1-3H3,(H,19,20)
InChIKeyVXRQKRJXBOBJRX-UHFFFAOYSA-N
XLogP47.26
TPSA288.47 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds64
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002789.51
LogP ≤ 547.26
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

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'}

Analyze N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine)?
The IUPAC name of N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine) (CID 161428502) is N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine).
What is the SMILES notation for N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine)?
The canonical SMILES for N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine) is CCCCCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.CCCCCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.CCCCCNc1c2ccc(C)cc2nc2ccc(OC)cc12.CCCCCNc1c2ccc(C)cc2nc2ccc(OC)cc12.CCCCN(C)CCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.CCCCNCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.CCCNc1c2ccc(C)cc2nc2ccc(OC)cc12.CCCNc1c2ccc(C)cc2nc2ccc(OC)cc12.
What is the InChIKey of N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine)?
The InChIKey is VXRQKRJXBOBJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O.2C24H31ClN2O.C23H30ClN3O.2C20H24N2O.2C18H20N2O/c1-4-5-14-28(2)15-8-6-7-13-26-24-20-11-9-18(25)16-23(20)27-22-12-10-19(29-3)17-21(22)24;2*1-3-4-5-6-7-8-9-10-15-26-24-20-13-11-18(25)16-23(20)27-22-14-12-19(28-2)17-21(22)24;1-3-4-12-25-13-6-5-7-14-26-23-19-10-8-17(24)15-22(19)27-21-11-9-18(28-2)16-20(21)23;2*1-4-5-6-11-21-20-16-9-7-14(2)12-19(16)22-18-10-8-15(23-3)13-17(18)20;2*1-4-9-19-18-14-7-5-12(2)10-17(14)20-16-8-6-13(21-3)11-15(16)18/h9-12,16-17H,4-8,13-15H2,1-3H3,(H,26,27);2*11-14,16-17H,3-10,15H2,1-2H3,(H,26,27);8-11,15-16,25H,3-7,12-14H2,1-2H3,(H,26,27);2*7-10,12-13H,4-6,11H2,1-3H3,(H,21,22);2*5-8,10-11H,4,9H2,1-3H3,(H,19,20).
What are the key properties of N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine)?
N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine) has a molecular weight of 2789.51 g/mol, XLogP of 47.26, 64 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(6-chloro-2-methoxyacridin-9-yl)-N'-methylpentane-1,5-diamine;N-butyl-N'-(6-chloro-2-methoxyacridin-9-yl)pentane-1,5-diamine;bis(6-chloro-N-decyl-2-methoxyacridin-9-amine);bis(2-methoxy-6-methyl-N-pentylacridin-9-amine);bis(2-methoxy-6-methyl-N-propylacridin-9-amine) is sourced from PubChem (CID 161428502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).