4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C87H113ClN24O3 — CID 163830244

IUPAC4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2nc(NCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)nc(N3CCCCC3)n2)cc(OC)c1.Cc1ccc2c(NCCCCNc3nc(NC4CCCCC4)nc(N4CCCCC4)n3)ccnc2c1.Cc1ccc2c(NCCCNc3nc(NC4CCCCC4)nc(N4CCCCC4)n3)ccnc2c1
InChIInChI=1S/C32H35ClN8O3.C28H40N8.C27H38N8/c1-42-22-8-10-27-26(19-22)29(25-9-7-20(33)15-28(25)37-27)34-11-12-35-30-38-31(40-32(39-30)41-13-5-4-6-14-41)36-21-16-23(43-2)18-24(17-21)44-3;1-21-12-13-23-24(14-17-30-25(23)20-21)29-15-6-7-16-31-26-33-27(32-22-10-4-2-5-11-22)35-28(34-26)36-18-8-3-9-19-36;1-20-11-12-22-23(13-16-29-24(22)19-20)28-14-8-15-30-25-32-26(31-21-9-4-2-5-10-21)34-27(33-25)35-17-6-3-7-18-35/h7-10,15-19H,4-6,11-14H2,1-3H3,(H,34,37)(H2,35,36,38,39,40);12-14,17,20,22H,2-11,15-16,18-19H2,1H3,(H,29,30)(H2,31,32,33,34,35);11-13,16,19,21H,2-10,14-15,17-18H2,1H3,(H,28,29)(H2,30,31,32,33,34)
InChIKeyODBQQLWYTJSUFL-UHFFFAOYSA-N
MW1578.48 g/mol
LogP17.65
Rot. Bonds30

About 4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 163830244) has the molecular formula C87H113ClN24O3 and a molecular weight of 1578.48 g/mol. Its IUPAC name is 4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID163830244
Molecular FormulaC87H113ClN24O3
Molecular Weight1578.48 g/mol
Exact Mass1576.91
IUPAC Name4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2nc(NCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)nc(N3CCCCC3)n2)cc(OC)c1.Cc1ccc2c(NCCCCNc3nc(NC4CCCCC4)nc(N4CCCCC4)n3)ccnc2c1.Cc1ccc2c(NCCCNc3nc(NC4CCCCC4)nc(N4CCCCC4)n3)ccnc2c1
InChIInChI=1S/C32H35ClN8O3.C28H40N8.C27H38N8/c1-42-22-8-10-27-26(19-22)29(25-9-7-20(33)15-28(25)37-27)34-11-12-35-30-38-31(40-32(39-30)41-13-5-4-6-14-41)36-21-16-23(43-2)18-24(17-21)44-3;1-21-12-13-23-24(14-17-30-25(23)20-21)29-15-6-7-16-31-26-33-27(32-22-10-4-2-5-11-22)35-28(34-26)36-18-8-3-9-19-36;1-20-11-12-22-23(13-16-29-24(22)19-20)28-14-8-15-30-25-32-26(31-21-9-4-2-5-10-21)34-27(33-25)35-17-6-3-7-18-35/h7-10,15-19H,4-6,11-14H2,1-3H3,(H,34,37)(H2,35,36,38,39,40);12-14,17,20,22H,2-11,15-16,18-19H2,1H3,(H,29,30)(H2,31,32,33,34,35);11-13,16,19,21H,2-10,14-15,17-18H2,1H3,(H,28,29)(H2,30,31,32,33,34)
InChIKeyODBQQLWYTJSUFL-UHFFFAOYSA-N
XLogP17.65
TPSA300.36 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001578.48
LogP ≤ 517.65
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

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 4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 163830244) is 4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is COc1cc(Nc2nc(NCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)nc(N3CCCCC3)n2)cc(OC)c1.Cc1ccc2c(NCCCCNc3nc(NC4CCCCC4)nc(N4CCCCC4)n3)ccnc2c1.Cc1ccc2c(NCCCNc3nc(NC4CCCCC4)nc(N4CCCCC4)n3)ccnc2c1.
What is the InChIKey of 4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ODBQQLWYTJSUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClN8O3.C28H40N8.C27H38N8/c1-42-22-8-10-27-26(19-22)29(25-9-7-20(33)15-28(25)37-27)34-11-12-35-30-38-31(40-32(39-30)41-13-5-4-6-14-41)36-21-16-23(43-2)18-24(17-21)44-3;1-21-12-13-23-24(14-17-30-25(23)20-21)29-15-6-7-16-31-26-33-27(32-22-10-4-2-5-11-22)35-28(34-26)36-18-8-3-9-19-36;1-20-11-12-22-23(13-16-29-24(22)19-20)28-14-8-15-30-25-32-26(31-21-9-4-2-5-10-21)34-27(33-25)35-17-6-3-7-18-35/h7-10,15-19H,4-6,11-14H2,1-3H3,(H,34,37)(H2,35,36,38,39,40);12-14,17,20,22H,2-11,15-16,18-19H2,1H3,(H,29,30)(H2,31,32,33,34,35);11-13,16,19,21H,2-10,14-15,17-18H2,1H3,(H,28,29)(H2,30,31,32,33,34).
What are the key properties of 4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 1578.48 g/mol, XLogP of 17.65, 30 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-N-(3,5-dimethoxyphenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[4-[(7-methylquinolin-4-yl)amino]butyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine;2-N-cyclohexyl-4-N-[3-[(7-methylquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 163830244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).