5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde

C46H39Cl2F3N6O3 — CID 158211152

About 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde

5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde (PubChem CID 158211152) has the molecular formula C46H39Cl2F3N6O3 and a molecular weight of 851.76 g/mol. Its IUPAC name is 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde.

Molecular Properties

• Compound Name: 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde
• PubChem CID: 158211152
• Molecular Formula: C46H39Cl2F3N6O3
• Molecular Weight: 851.76 g/mol
• Exact Mass: 850.24
• IUPAC Name: 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde
• SMILES: Cc1cc(Cl)cnc1N.Cc1ccc(C(Nc2ncc(Cl)cc2C)c2ccc3cccnc3c2O)cc1.O=Cc1ccc(C(F)(F)F)cc1.Oc1cccc2cccnc12
• InChI: InChI=1S/C23H20ClN3O.C9H7NO.C8H5F3O.C6H7ClN2/c1-14-5-7-17(8-6-14)20(27-23-15(2)12-18(24)13-26-23)19-10-9-16-4-3-11-25-21(16)22(19)28;11-8-5-1-3-7-4-2-6-10-9(7)8;9-8(10,11)7-3-1-6(5-12)2-4-7;1-4-2-5(7)3-9-6(4)8/h3-13,20,28H,1-2H3,(H,26,27);1-6,11H;1-5H;2-3H,1H3,(H2,8,9)
• InChIKey: GCCCBALBMXPSLB-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 147.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.76
LogP ≤ 5	11.89
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]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde?

The IUPAC name of 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde (CID 158211152) is 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde.

What is the SMILES notation for 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde?

The canonical SMILES for 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde is Cc1cc(Cl)cnc1N.Cc1ccc(C(Nc2ncc(Cl)cc2C)c2ccc3cccnc3c2O)cc1.O=Cc1ccc(C(F)(F)F)cc1.Oc1cccc2cccnc12.

What is the InChIKey of 5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde?

The InChIKey is GCCCBALBMXPSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O.C9H7NO.C8H5F3O.C6H7ClN2/c1-14-5-7-17(8-6-14)20(27-23-15(2)12-18(24)13-26-23)19-10-9-16-4-3-11-25-21(16)22(19)28;11-8-5-1-3-7-4-2-6-10-9(7)8;9-8(10,11)7-3-1-6(5-12)2-4-7;1-4-2-5(7)3-9-6(4)8/h3-13,20,28H,1-2H3,(H,26,27);1-6,11H;1-5H;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]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde?

5-chloro-3-methylpyridin-2-amine;7-[[(5-chloro-3-methyl-2-pyridinyl)amino]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde has a molecular weight of 851.76 g/mol, XLogP of 11.89, 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]-(4-methylphenyl)methyl]quinolin-8-ol;quinolin-8-ol;4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 158211152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).