3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline

C33H25F3N2O — CID 45270660

IUPAC3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline
SMILESCn1ccc2cccc(COc3cccc(-c4c(Cc5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)c21
InChIInChI=1S/C33H25F3N2O/c1-38-17-16-23-10-5-12-25(32(23)38)21-39-27-13-6-11-24(19-27)30-26(18-22-8-3-2-4-9-22)20-37-31-28(30)14-7-15-29(31)33(34,35)36/h2-17,19-20H,18,21H2,1H3
InChIKeyZBNWVQXJYIJWEI-UHFFFAOYSA-N
MW522.57 g/mol
LogP8.58
Rot. Bonds6

About 3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline

3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline (PubChem CID 45270660) has the molecular formula C33H25F3N2O and a molecular weight of 522.57 g/mol. Its IUPAC name is 3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline
PubChem CID45270660
Molecular FormulaC33H25F3N2O
Molecular Weight522.57 g/mol
Exact Mass522.19
IUPAC Name3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline
SMILESCn1ccc2cccc(COc3cccc(-c4c(Cc5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)c21
InChIInChI=1S/C33H25F3N2O/c1-38-17-16-23-10-5-12-25(32(23)38)21-39-27-13-6-11-24(19-27)30-26(18-22-8-3-2-4-9-22)20-37-31-28(30)14-7-15-29(31)33(34,35)36/h2-17,19-20H,18,21H2,1H3
InChIKeyZBNWVQXJYIJWEI-UHFFFAOYSA-N
XLogP8.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline with MolForge

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

Launch Full Analysis

Related Compounds

N-Methyl-5-benzyloxyindole
CID 259196
1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440
4-[3-(3-Benzyl-8-trifluoromethyl-quinolin-4-yl)-phenoxy]-phenol
CID 16718799
Biarylether alcohol quinoline, 5b
CID 16727104
Biarylether alcohol quinoline, 5f
CID 16727105
Biarylether alcohol quinoline, 5a
CID 44472981
Biarylether alcohol quinoline, 5c
CID 44472982
Biarylether alcohol quinoline, 5d
CID 44472983
Biarylether alcohol quinoline, 5g
CID 44472987
3-Benzyl-4-[3-(4-methoxyphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 44472991
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
Dimethyl-[2-(3-methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-1-yl)-ethyl]-amine
CID 10244251

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline?
The IUPAC name of 3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline (CID 45270660) is 3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline?
The canonical SMILES for 3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline is Cn1ccc2cccc(COc3cccc(-c4c(Cc5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)c21.
What is the InChIKey of 3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline?
The InChIKey is ZBNWVQXJYIJWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F3N2O/c1-38-17-16-23-10-5-12-25(32(23)38)21-39-27-13-6-11-24(19-27)30-26(18-22-8-3-2-4-9-22)20-37-31-28(30)14-7-15-29(31)33(34,35)36/h2-17,19-20H,18,21H2,1H3.
What are the key properties of 3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline?
3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline has a molecular weight of 522.57 g/mol, XLogP of 8.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-[3-[(1-methylindol-7-yl)methoxy]phenyl]-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 45270660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).