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

C46H37Cl2F5N6O3 — CID 158066776

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

5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-fluoro-4-methylphenyl)methyl]quinolin-8-ol;3-fluoro-4-(trifluoromethyl)benzaldehyde;quinolin-8-ol (PubChem CID 158066776) has the molecular formula C46H37Cl2F5N6O3 and a molecular weight of 887.74 g/mol. Its IUPAC name is 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-fluoro-4-methylphenyl)methyl]quinolin-8-ol;3-fluoro-4-(trifluoromethyl)benzaldehyde;quinolin-8-ol.

Molecular Properties

• Compound Name: 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-fluoro-4-methylphenyl)methyl]quinolin-8-ol;3-fluoro-4-(trifluoromethyl)benzaldehyde;quinolin-8-ol
• PubChem CID: 158066776
• Molecular Formula: C46H37Cl2F5N6O3
• Molecular Weight: 887.74 g/mol
• Exact Mass: 886.22
• IUPAC Name: 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-fluoro-4-methylphenyl)methyl]quinolin-8-ol;3-fluoro-4-(trifluoromethyl)benzaldehyde;quinolin-8-ol
• SMILES: Cc1cc(N)ncc1Cl.Cc1ccc(C(Nc2cc(C)c(Cl)cn2)c2ccc3cccnc3c2O)cc1F.O=Cc1ccc(C(F)(F)F)c(F)c1.Oc1cccc2cccnc12
• InChI: InChI=1S/C23H19ClFN3O.C9H7NO.C8H4F4O.C6H7ClN2/c1-13-5-6-16(11-19(13)25)21(28-20-10-14(2)18(24)12-27-20)17-8-7-15-4-3-9-26-22(15)23(17)29;11-8-5-1-3-7-4-2-6-10-9(7)8;9-7-3-5(4-13)1-2-6(7)8(10,11)12;1-4-2-6(8)9-3-5(4)7/h3-12,21,29H,1-2H3,(H,27,28);1-6,11H;1-4H;2-3H,1H3,(H2,8,9)
• InChIKey: FLIBZYWBHBWTCG-UHFFFAOYSA-N
• XLogP: 12.17
• TPSA: 147.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.74
LogP ≤ 5	12.17
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-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-fluoro-4-methylphenyl)methyl]quinolin-8-ol;3-fluoro-4-(trifluoromethyl)benzaldehyde;quinolin-8-ol?

The IUPAC name of 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-fluoro-4-methylphenyl)methyl]quinolin-8-ol;3-fluoro-4-(trifluoromethyl)benzaldehyde;quinolin-8-ol (CID 158066776) is 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-fluoro-4-methylphenyl)methyl]quinolin-8-ol;3-fluoro-4-(trifluoromethyl)benzaldehyde;quinolin-8-ol.

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

The canonical SMILES for 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-fluoro-4-methylphenyl)methyl]quinolin-8-ol;3-fluoro-4-(trifluoromethyl)benzaldehyde;quinolin-8-ol is Cc1cc(N)ncc1Cl.Cc1ccc(C(Nc2cc(C)c(Cl)cn2)c2ccc3cccnc3c2O)cc1F.O=Cc1ccc(C(F)(F)F)c(F)c1.Oc1cccc2cccnc12.

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

The InChIKey is FLIBZYWBHBWTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O.C9H7NO.C8H4F4O.C6H7ClN2/c1-13-5-6-16(11-19(13)25)21(28-20-10-14(2)18(24)12-27-20)17-8-7-15-4-3-9-26-22(15)23(17)29;11-8-5-1-3-7-4-2-6-10-9(7)8;9-7-3-5(4-13)1-2-6(7)8(10,11)12;1-4-2-6(8)9-3-5(4)7/h3-12,21,29H,1-2H3,(H,27,28);1-6,11H;1-4H;2-3H,1H3,(H2,8,9).

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

5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-fluoro-4-methylphenyl)methyl]quinolin-8-ol;3-fluoro-4-(trifluoromethyl)benzaldehyde;quinolin-8-ol has a molecular weight of 887.74 g/mol, XLogP of 12.17, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-fluoro-4-methylphenyl)methyl]quinolin-8-ol;3-fluoro-4-(trifluoromethyl)benzaldehyde;quinolin-8-ol is sourced from PubChem (CID 158066776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).