[4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone

C33H27F3N2O2 — CID 66913270

IUPAC[4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
SMILESCN(C)Cc1ccc(COc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1
InChIInChI=1S/C33H27F3N2O2/c1-38(2)20-22-14-16-23(17-15-22)21-40-26-11-6-10-25(18-26)30-27-12-7-13-29(33(34,35)36)31(27)37-19-28(30)32(39)24-8-4-3-5-9-24/h3-19H,20-21H2,1-2H3
InChIKeyUOIPZBYBPYWBOM-UHFFFAOYSA-N
MW540.59 g/mol
LogP7.79
Rot. Bonds8

About [4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone

[4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone (PubChem CID 66913270) has the molecular formula C33H27F3N2O2 and a molecular weight of 540.59 g/mol. Its IUPAC name is [4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
PubChem CID66913270
Molecular FormulaC33H27F3N2O2
Molecular Weight540.59 g/mol
Exact Mass540.20
IUPAC Name[4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
SMILESCN(C)Cc1ccc(COc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1
InChIInChI=1S/C33H27F3N2O2/c1-38(2)20-22-14-16-23(17-15-22)21-40-26-11-6-10-25(18-26)30-27-12-7-13-29(33(34,35)36)31(27)37-19-28(30)32(39)24-8-4-3-5-9-24/h3-19H,20-21H2,1-2H3
InChIKeyUOIPZBYBPYWBOM-UHFFFAOYSA-N
XLogP7.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.59
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone 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 [4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone?
The IUPAC name of [4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone (CID 66913270) is [4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone.
What is the SMILES notation for [4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone?
The canonical SMILES for [4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone is CN(C)Cc1ccc(COc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1.
What is the InChIKey of [4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone?
The InChIKey is UOIPZBYBPYWBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F3N2O2/c1-38(2)20-22-14-16-23(17-15-22)21-40-26-11-6-10-25(18-26)30-27-12-7-13-29(33(34,35)36)31(27)37-19-28(30)32(39)24-8-4-3-5-9-24/h3-19H,20-21H2,1-2H3.
What are the key properties of [4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone?
[4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone has a molecular weight of 540.59 g/mol, XLogP of 7.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[[4-[(dimethylamino)methyl]phenyl]methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone is sourced from PubChem (CID 66913270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).