1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol

C23H24F4N2O2 — CID 10194889

About 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol (PubChem CID 10194889) has the molecular formula C23H24F4N2O2 and a molecular weight of 436.45 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol.

Molecular Properties

• Compound Name: 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol
• PubChem CID: 10194889
• Molecular Formula: C23H24F4N2O2
• Molecular Weight: 436.45 g/mol
• Exact Mass: 436.18
• IUPAC Name: 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol
• SMILES: COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ncccc12)C(F)(F)F
• InChI: InChI=1S/C23H24F4N2O2/c1-21(2,17-12-15(24)9-10-20(17)31-3)13-22(30,23(25,26)27)14-29-19-8-4-7-18-16(19)6-5-11-28-18/h4-12,29-30H,13-14H2,1-3H3
• InChIKey: BDZYLNZLEGRWAZ-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 54.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.45
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol?

The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol (CID 10194889) is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol.

What is the SMILES notation for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol?

The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ncccc12)C(F)(F)F.

What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol?

The InChIKey is BDZYLNZLEGRWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O2/c1-21(2,17-12-15(24)9-10-20(17)31-3)13-22(30,23(25,26)27)14-29-19-8-4-7-18-16(19)6-5-11-28-18/h4-12,29-30H,13-14H2,1-3H3.

What are the key properties of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol?

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol has a molecular weight of 436.45 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(quinolin-5-ylamino)methyl]pentan-2-ol is sourced from PubChem (CID 10194889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).