2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

C23H16F3N3O — CID 134849172

IUPAC2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1Nc1ccccc1
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)16-11-12-19(28-17-8-2-1-3-9-17)18(14-16)22(30)29-20-10-4-6-15-7-5-13-27-21(15)20/h1-14,28H,(H,29,30)
InChIKeyILWGKEOEFXMSSV-UHFFFAOYSA-N
MW407.40 g/mol
LogP6.25
Rot. Bonds4

About 2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (PubChem CID 134849172) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is 2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
PubChem CID134849172
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1Nc1ccccc1
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)16-11-12-19(28-17-8-2-1-3-9-17)18(14-16)22(30)29-20-10-4-6-15-7-5-13-27-21(15)20/h1-14,28H,(H,29,30)
InChIKeyILWGKEOEFXMSSV-UHFFFAOYSA-N
XLogP6.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
CID 132546156
2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
CID 71657963
N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956077
8-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 18372533
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
4-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846864
2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819418
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
CID 24710942
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866611
2-(aminomethyl)-N-quinolin-8-ylbenzamide
CID 82546402

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (CID 134849172) is 2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is O=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The InChIKey is ILWGKEOEFXMSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c24-23(25,26)16-11-12-19(28-17-8-2-1-3-9-17)18(14-16)22(30)29-20-10-4-6-15-7-5-13-27-21(15)20/h1-14,28H,(H,29,30).
What are the key properties of 2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide has a molecular weight of 407.40 g/mol, XLogP of 6.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 134849172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).