1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone

C23H13ClF3NO — CID 2501340

IUPAC1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H13ClF3NO/c24-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(22(29)23(25,26)27)21(28-18)15-9-5-2-6-10-15/h1-13H
InChIKeyGXXXYNRYLMWOAT-UHFFFAOYSA-N
MW411.81 g/mol
LogP6.97
Rot. Bonds3

About 1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone

1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone (PubChem CID 2501340) has the molecular formula C23H13ClF3NO and a molecular weight of 411.81 g/mol. Its IUPAC name is 1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone
PubChem CID2501340
Molecular FormulaC23H13ClF3NO
Molecular Weight411.81 g/mol
Exact Mass411.06
IUPAC Name1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H13ClF3NO/c24-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(22(29)23(25,26)27)21(28-18)15-9-5-2-6-10-15/h1-13H
InChIKeyGXXXYNRYLMWOAT-UHFFFAOYSA-N
XLogP6.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.81
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone (CID 2501340) is 1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone is O=C(c1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone?
The InChIKey is GXXXYNRYLMWOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClF3NO/c24-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(22(29)23(25,26)27)21(28-18)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone?
1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone has a molecular weight of 411.81 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 2501340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).