2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde

C23H14F3NO2 — CID 87202387

IUPAC2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
SMILESO=Cc1ccccc1-c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1
InChIInChI=1S/C23H14F3NO2/c24-23(25,26)20-10-4-9-18-21(14-6-3-7-16(29)11-14)19(12-27-22(18)20)17-8-2-1-5-15(17)13-28/h1-13,29H
InChIKeyRDRHVYCQKKSRFZ-UHFFFAOYSA-N
MW393.36 g/mol
LogP6.11
Rot. Bonds3

About 2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde

2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde (PubChem CID 87202387) has the molecular formula C23H14F3NO2 and a molecular weight of 393.36 g/mol. Its IUPAC name is 2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde.

Molecular Properties

Compound Name2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
PubChem CID87202387
Molecular FormulaC23H14F3NO2
Molecular Weight393.36 g/mol
Exact Mass393.10
IUPAC Name2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
SMILESO=Cc1ccccc1-c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1
InChIInChI=1S/C23H14F3NO2/c24-23(25,26)20-10-4-9-18-21(14-6-3-7-16(29)11-14)19(12-27-22(18)20)17-8-2-1-5-15(17)13-28/h1-13,29H
InChIKeyRDRHVYCQKKSRFZ-UHFFFAOYSA-N
XLogP6.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.36
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde 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

3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol
CID 66913968
2-[4-[3-[(2-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
CID 87202481
3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol
CID 58046084
2-[4-[3-[(3-nitrophenyl)methylamino]phenyl]-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
CID 87202457
4-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline
CID 66914378
4-[3-(2-phenylethylamino)phenyl]-8-(trifluoromethyl)quinoline-3-carbaldehyde
CID 87585136
4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline
CID 66913406
(E)-2-methyl-3-[4-[[3-[3-phenyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]prop-2-enoic acid
CID 68812320
4-[3-(quinolin-2-ylmethoxy)phenyl]-8-(trifluoromethyl)quinoline-3-carbaldehyde
CID 174504655
4-[3-[[4-(chloromethyl)phenyl]methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 141119965
4-[3-[(2,3-dimethylphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 66914057
4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 66914261

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde?
The IUPAC name of 2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde (CID 87202387) is 2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde.
What is the SMILES notation for 2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde?
The canonical SMILES for 2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde is O=Cc1ccccc1-c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1.
What is the InChIKey of 2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde?
The InChIKey is RDRHVYCQKKSRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3NO2/c24-23(25,26)20-10-4-9-18-21(14-6-3-7-16(29)11-14)19(12-27-22(18)20)17-8-2-1-5-15(17)13-28/h1-13,29H.
What are the key properties of 2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde?
2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde has a molecular weight of 393.36 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde is sourced from PubChem (CID 87202387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).