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

C44H34Cl6N6O3 — CID 158007254

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

5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol (PubChem CID 158007254) has the molecular formula C44H34Cl6N6O3 and a molecular weight of 907.51 g/mol. Its IUPAC name is 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol.

Molecular Properties

• Compound Name: 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol
• PubChem CID: 158007254
• Molecular Formula: C44H34Cl6N6O3
• Molecular Weight: 907.51 g/mol
• Exact Mass: 904.08
• IUPAC Name: 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol
• SMILES: Cc1cc(Cl)cnc1N.Cc1cc(Cl)cnc1NC(c1cc(Cl)ccc1Cl)c1ccc2cccnc2c1O.O=Cc1cc(Cl)ccc1Cl.Oc1cccc2cccnc12
• InChI: InChI=1S/C22H16Cl3N3O.C9H7NO.C7H4Cl2O.C6H7ClN2/c1-12-9-15(24)11-27-22(12)28-20(17-10-14(23)5-7-18(17)25)16-6-4-13-3-2-8-26-19(13)21(16)29;11-8-5-1-3-7-4-2-6-10-9(7)8;8-6-1-2-7(9)5(3-6)4-10;1-4-2-5(7)3-9-6(4)8/h2-11,20,29H,1H3,(H,27,28);1-6,11H;1-4H;2-3H,1H3,(H2,8,9)
• InChIKey: FELHAMQVFPUZBP-UHFFFAOYSA-N
• XLogP: 13.18
• TPSA: 147.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.51
LogP ≤ 5	13.18
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-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol?

The IUPAC name of 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol (CID 158007254) is 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-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-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol?

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

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

The InChIKey is FELHAMQVFPUZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3N3O.C9H7NO.C7H4Cl2O.C6H7ClN2/c1-12-9-15(24)11-27-22(12)28-20(17-10-14(23)5-7-18(17)25)16-6-4-13-3-2-8-26-19(13)21(16)29;11-8-5-1-3-7-4-2-6-10-9(7)8;8-6-1-2-7(9)5(3-6)4-10;1-4-2-5(7)3-9-6(4)8/h2-11,20,29H,1H3,(H,27,28);1-6,11H;1-4H;2-3H,1H3,(H2,8,9).

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

5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol has a molecular weight of 907.51 g/mol, XLogP of 13.18, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(2,5-dichlorophenyl)methyl]quinolin-8-ol;2,5-dichlorobenzaldehyde;quinolin-8-ol is sourced from PubChem (CID 158007254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).