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

C46H34Cl4F6N6O3 — CID 158114965

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

5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol;4-chloro-3-(trifluoromethyl)benzaldehyde;quinolin-8-ol (PubChem CID 158114965) has the molecular formula C46H34Cl4F6N6O3 and a molecular weight of 974.62 g/mol. Its IUPAC name is 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol;4-chloro-3-(trifluoromethyl)benzaldehyde;quinolin-8-ol.

Molecular Properties

• Compound Name: 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol;4-chloro-3-(trifluoromethyl)benzaldehyde;quinolin-8-ol
• PubChem CID: 158114965
• Molecular Formula: C46H34Cl4F6N6O3
• Molecular Weight: 974.62 g/mol
• Exact Mass: 972.14
• IUPAC Name: 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol;4-chloro-3-(trifluoromethyl)benzaldehyde;quinolin-8-ol
• SMILES: Cc1cc(N)ncc1Cl.Cc1cc(NC(c2ccc(Cl)c(C(F)(F)F)c2)c2ccc3cccnc3c2O)ncc1Cl.O=Cc1ccc(Cl)c(C(F)(F)F)c1.Oc1cccc2cccnc12
• InChI: InChI=1S/C23H16Cl2F3N3O.C9H7NO.C8H4ClF3O.C6H7ClN2/c1-12-9-19(30-11-18(12)25)31-20(14-5-7-17(24)16(10-14)23(26,27)28)15-6-4-13-3-2-8-29-21(13)22(15)32;11-8-5-1-3-7-4-2-6-10-9(7)8;9-7-2-1-5(4-13)3-6(7)8(10,11)12;1-4-2-6(8)9-3-5(4)7/h2-11,20,32H,1H3,(H,30,31);1-6,11H;1-4H;2-3H,1H3,(H2,8,9)
• InChIKey: FQWSEFHDAMRAGR-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 147.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.62
LogP ≤ 5	13.91
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]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol;4-chloro-3-(trifluoromethyl)benzaldehyde;quinolin-8-ol?

The IUPAC name of 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol;4-chloro-3-(trifluoromethyl)benzaldehyde;quinolin-8-ol (CID 158114965) is 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol;4-chloro-3-(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]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol;4-chloro-3-(trifluoromethyl)benzaldehyde;quinolin-8-ol?

The canonical SMILES for 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol;4-chloro-3-(trifluoromethyl)benzaldehyde;quinolin-8-ol is Cc1cc(N)ncc1Cl.Cc1cc(NC(c2ccc(Cl)c(C(F)(F)F)c2)c2ccc3cccnc3c2O)ncc1Cl.O=Cc1ccc(Cl)c(C(F)(F)F)c1.Oc1cccc2cccnc12.

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

The InChIKey is FQWSEFHDAMRAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2F3N3O.C9H7NO.C8H4ClF3O.C6H7ClN2/c1-12-9-19(30-11-18(12)25)31-20(14-5-7-17(24)16(10-14)23(26,27)28)15-6-4-13-3-2-8-29-21(13)22(15)32;11-8-5-1-3-7-4-2-6-10-9(7)8;9-7-2-1-5(4-13)3-6(7)8(10,11)12;1-4-2-6(8)9-3-5(4)7/h2-11,20,32H,1H3,(H,30,31);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]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol;4-chloro-3-(trifluoromethyl)benzaldehyde;quinolin-8-ol?

5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol;4-chloro-3-(trifluoromethyl)benzaldehyde;quinolin-8-ol has a molecular weight of 974.62 g/mol, XLogP of 13.91, 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]-[4-chloro-3-(trifluoromethyl)phenyl]methyl]quinolin-8-ol;4-chloro-3-(trifluoromethyl)benzaldehyde;quinolin-8-ol is sourced from PubChem (CID 158114965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).