6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline

C24H18F3NO — CID 25198420

IUPAC6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline
SMILESCOc1ccc2nc(C(F)(F)F)c(-c3ccc(C)cc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C24H18F3NO/c1-15-8-10-17(11-9-15)22-21(16-6-4-3-5-7-16)19-14-18(29-2)12-13-20(19)28-23(22)24(25,26)27/h3-14H,1-2H3
InChIKeyQQSNPPIGRLIXJN-UHFFFAOYSA-N
MW393.41 g/mol
LogP6.90
Rot. Bonds3

About 6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline

6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline (PubChem CID 25198420) has the molecular formula C24H18F3NO and a molecular weight of 393.41 g/mol. Its IUPAC name is 6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline
PubChem CID25198420
Molecular FormulaC24H18F3NO
Molecular Weight393.41 g/mol
Exact Mass393.13
IUPAC Name6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline
SMILESCOc1ccc2nc(C(F)(F)F)c(-c3ccc(C)cc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C24H18F3NO/c1-15-8-10-17(11-9-15)22-21(16-6-4-3-5-7-16)19-14-18(29-2)12-13-20(19)28-23(22)24(25,26)27/h3-14H,1-2H3
InChIKeyQQSNPPIGRLIXJN-UHFFFAOYSA-N
XLogP6.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.41
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline (CID 25198420) is 6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline is COc1ccc2nc(C(F)(F)F)c(-c3ccc(C)cc3)c(-c3ccccc3)c2c1.
What is the InChIKey of 6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline?
The InChIKey is QQSNPPIGRLIXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO/c1-15-8-10-17(11-9-15)22-21(16-6-4-3-5-7-16)19-14-18(29-2)12-13-20(19)28-23(22)24(25,26)27/h3-14H,1-2H3.
What are the key properties of 6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline?
6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline has a molecular weight of 393.41 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methylphenyl)-4-phenyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 25198420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).