5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol

C46H38Cl6N6O3 — CID 159885262

About 5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol

5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol (PubChem CID 159885262) has the molecular formula C46H38Cl6N6O3 and a molecular weight of 935.57 g/mol. Its IUPAC name is 5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol.

Molecular Properties

• Compound Name: 5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol
• PubChem CID: 159885262
• Molecular Formula: C46H38Cl6N6O3
• Molecular Weight: 935.57 g/mol
• Exact Mass: 932.11
• IUPAC Name: 5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol
• SMILES: CCc1cc(Cl)cnc1N.CCc1cc(Cl)cnc1NC(c1cc(Cl)ccc1Cl)c1ccc2cccnc2c1O.O=Cc1cc(Cl)ccc1Cl.Oc1cccc2cccnc12
• InChI: InChI=1S/C23H18Cl3N3O.C9H7NO.C7H4Cl2O.C7H9ClN2/c1-2-13-10-16(25)12-28-23(13)29-21(18-11-15(24)6-8-19(18)26)17-7-5-14-4-3-9-27-20(14)22(17)30;11-8-5-1-3-7-4-2-6-10-9(7)8;8-6-1-2-7(9)5(3-6)4-10;1-2-5-3-6(8)4-10-7(5)9/h3-12,21,30H,2H2,1H3,(H,28,29);1-6,11H;1-4H;3-4H,2H2,1H3,(H2,9,10)
• InChIKey: NUAZYVNTYTZFHJ-UHFFFAOYSA-N
• XLogP: 13.69
• TPSA: 147.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.57
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol?

The IUPAC name of 5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol (CID 159885262) is 5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol.

What is the SMILES notation for 5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol?

The canonical SMILES for 5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol is CCc1cc(Cl)cnc1N.CCc1cc(Cl)cnc1NC(c1cc(Cl)ccc1Cl)c1ccc2cccnc2c1O.O=Cc1cc(Cl)ccc1Cl.Oc1cccc2cccnc12.

What is the InChIKey of 5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol?

The InChIKey is NUAZYVNTYTZFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O.C9H7NO.C7H4Cl2O.C7H9ClN2/c1-2-13-10-16(25)12-28-23(13)29-21(18-11-15(24)6-8-19(18)26)17-7-5-14-4-3-9-27-20(14)22(17)30;11-8-5-1-3-7-4-2-6-10-9(7)8;8-6-1-2-7(9)5(3-6)4-10;1-2-5-3-6(8)4-10-7(5)9/h3-12,21,30H,2H2,1H3,(H,28,29);1-6,11H;1-4H;3-4H,2H2,1H3,(H2,9,10).

What are the key properties of 5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol?

5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol has a molecular weight of 935.57 g/mol, XLogP of 13.69, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-ethylpyridin-2-amine;7-[[(5-chloro-3-ethyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol is sourced from PubChem (CID 159885262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).