phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone

C21H12F3NOS — CID 11429019

IUPACphenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone
SMILESO=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccs1
InChIInChI=1S/C21H12F3NOS/c22-21(23,24)16-9-4-8-14-18(17-10-5-11-27-17)15(12-25-19(14)16)20(26)13-6-2-1-3-7-13/h1-12H
InChIKeyCJMCQBLQYULIHD-UHFFFAOYSA-N
MW383.39 g/mol
LogP6.21
Rot. Bonds3

About phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone

phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone (PubChem CID 11429019) has the molecular formula C21H12F3NOS and a molecular weight of 383.39 g/mol. Its IUPAC name is phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone
PubChem CID11429019
Molecular FormulaC21H12F3NOS
Molecular Weight383.39 g/mol
Exact Mass383.06
IUPAC Namephenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone
SMILESO=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccs1
InChIInChI=1S/C21H12F3NOS/c22-21(23,24)16-9-4-8-14-18(17-10-5-11-27-17)15(12-25-19(14)16)20(26)13-6-2-1-3-7-13/h1-12H
InChIKeyCJMCQBLQYULIHD-UHFFFAOYSA-N
XLogP6.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.39
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone?
The IUPAC name of phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone (CID 11429019) is phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone.
What is the SMILES notation for phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone?
The canonical SMILES for phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone is O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccs1.
What is the InChIKey of phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone?
The InChIKey is CJMCQBLQYULIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3NOS/c22-21(23,24)16-9-4-8-14-18(17-10-5-11-27-17)15(12-25-19(14)16)20(26)13-6-2-1-3-7-13/h1-12H.
What are the key properties of phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone?
phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone has a molecular weight of 383.39 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone is sourced from PubChem (CID 11429019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).