2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide

C20H16F3N3O2 — CID 173151982

IUPAC2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1CCC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)14-7-5-12(16(10-14)19(24)28)6-8-18(27)26-15-9-13-3-1-2-4-17(13)25-11-15/h1-5,7,9-11H,6,8H2,(H2,24,28)(H,26,27)
InChIKeyZOZUFSDVVMFJRR-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.92
Rot. Bonds5

About 2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide

2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide (PubChem CID 173151982) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide
PubChem CID173151982
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1CCC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)14-7-5-12(16(10-14)19(24)28)6-8-18(27)26-15-9-13-3-1-2-4-17(13)25-11-15/h1-5,7,9-11H,6,8H2,(H2,24,28)(H,26,27)
InChIKeyZOZUFSDVVMFJRR-UHFFFAOYSA-N
XLogP3.92
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-oxo-4-(quinolin-3-ylamino)butyl]-5-(trifluoromethyl)benzamide
CID 173151952
2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
CID 91168668
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide
CID 11725197
N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide
CID 162787974
N-quinolin-3-yl-3-thiophen-3-ylpropanamide
CID 29330989
(2S)-2-(methylamino)-N-quinolin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 59868559
3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide
CID 29330631
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526
3-[3-nitro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-N-quinolin-3-ylpropanamide
CID 19038210
3-phenyl-N-(quinolin-3-ylcarbamoyl)propanamide
CID 69378485
(2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide
CID 69345872

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide (CID 173151982) is 2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)ccc1CCC(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide?
The InChIKey is ZOZUFSDVVMFJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)14-7-5-12(16(10-14)19(24)28)6-8-18(27)26-15-9-13-3-1-2-4-17(13)25-11-15/h1-5,7,9-11H,6,8H2,(H2,24,28)(H,26,27).
What are the key properties of 2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide?
2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide has a molecular weight of 387.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 173151982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).