2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol

C24H21F3N2O — CID 158056619

About 2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol

2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol (PubChem CID 158056619) has the molecular formula C24H21F3N2O and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol.

Molecular Properties

• Compound Name: 2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol
• PubChem CID: 158056619
• Molecular Formula: C24H21F3N2O
• Molecular Weight: 410.44 g/mol
• Exact Mass: 410.16
• IUPAC Name: 2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol
• SMILES: [H]/N=C(\CO)c1ccc(N2CCCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1
• InChI: InChI=1S/C24H21F3N2O/c25-24(26,27)20-8-3-16(4-9-20)18-7-12-23-19(14-18)2-1-13-29(23)21-10-5-17(6-11-21)22(28)15-30/h3-12,14,28,30H,1-2,13,15H2/b28-22+
• InChIKey: OPYMQBAHHUFQTP-XAYXJRQQSA-N
• XLogP: 5.82
• TPSA: 47.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.44
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol?

The IUPAC name of 2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol (CID 158056619) is 2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol.

What is the SMILES notation for 2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol?

The canonical SMILES for 2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol is [H]/N=C(\CO)c1ccc(N2CCCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1.

What is the InChIKey of 2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol?

The InChIKey is OPYMQBAHHUFQTP-XAYXJRQQSA-N. The full InChI is InChI=1S/C24H21F3N2O/c25-24(26,27)20-8-3-16(4-9-20)18-7-12-23-19(14-18)2-1-13-29(23)21-10-5-17(6-11-21)22(28)15-30/h3-12,14,28,30H,1-2,13,15H2/b28-22+.

What are the key properties of 2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol?

2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol has a molecular weight of 410.44 g/mol, XLogP of 5.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-imino-2-[4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]phenyl]ethanol is sourced from PubChem (CID 158056619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).