N'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide

C25H24F3N3O2 — CID 143907435

IUPACN'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide
SMILESN/C(=N\COCO)c1ccc(N2CCCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1
InChIInChI=1S/C25H24F3N3O2/c26-25(27,28)21-8-3-17(4-9-21)19-7-12-23-20(14-19)2-1-13-31(23)22-10-5-18(6-11-22)24(29)30-15-33-16-32/h3-12,14,32H,1-2,13,15-16H2,(H2,29,30)
InChIKeyOQDBFIYUZZPSDE-UHFFFAOYSA-N
MW455.48 g/mol
LogP5.09
Rot. Bonds6

About N'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide

N'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide (PubChem CID 143907435) has the molecular formula C25H24F3N3O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is N'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide
PubChem CID143907435
Molecular FormulaC25H24F3N3O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC NameN'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide
SMILESN/C(=N\COCO)c1ccc(N2CCCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1
InChIInChI=1S/C25H24F3N3O2/c26-25(27,28)21-8-3-17(4-9-21)19-7-12-23-20(14-19)2-1-13-31(23)22-10-5-18(6-11-22)24(29)30-15-33-16-32/h3-12,14,32H,1-2,13,15-16H2,(H2,29,30)
InChIKeyOQDBFIYUZZPSDE-UHFFFAOYSA-N
XLogP5.09
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide?
The IUPAC name of N'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide (CID 143907435) is N'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide.
What is the SMILES notation for N'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide?
The canonical SMILES for N'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide is N/C(=N\COCO)c1ccc(N2CCCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1.
What is the InChIKey of N'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide?
The InChIKey is OQDBFIYUZZPSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O2/c26-25(27,28)21-8-3-17(4-9-21)19-7-12-23-20(14-19)2-1-13-31(23)22-10-5-18(6-11-22)24(29)30-15-33-16-32/h3-12,14,32H,1-2,13,15-16H2,(H2,29,30).
What are the key properties of N'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide?
N'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide has a molecular weight of 455.48 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(hydroxymethoxymethyl)-4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 143907435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).