2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide

C23H21F3N2O — CID 141483609

IUPAC2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C=Cc2ccc(C(F)(F)F)cc2)c2cccnc12
InChIInChI=1S/C23H21F3N2O/c1-22(2,3)21(29)28-19-13-10-16(18-5-4-14-27-20(18)19)9-6-15-7-11-17(12-8-15)23(24,25)26/h4-14H,1-3H3,(H,28,29)
InChIKeyOTRREDONRQWIFF-UHFFFAOYSA-N
MW398.43 g/mol
LogP6.41
Rot. Bonds3

About 2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide

2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide (PubChem CID 141483609) has the molecular formula C23H21F3N2O and a molecular weight of 398.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide
PubChem CID141483609
Molecular FormulaC23H21F3N2O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C=Cc2ccc(C(F)(F)F)cc2)c2cccnc12
InChIInChI=1S/C23H21F3N2O/c1-22(2,3)21(29)28-19-13-10-16(18-5-4-14-27-20(18)19)9-6-15-7-11-17(12-8-15)23(24,25)26/h4-14H,1-3H3,(H,28,29)
InChIKeyOTRREDONRQWIFF-UHFFFAOYSA-N
XLogP6.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide (CID 141483609) is 2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide is CC(C)(C)C(=O)Nc1ccc(C=Cc2ccc(C(F)(F)F)cc2)c2cccnc12.
What is the InChIKey of 2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide?
The InChIKey is OTRREDONRQWIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O/c1-22(2,3)21(29)28-19-13-10-16(18-5-4-14-27-20(18)19)9-6-15-7-11-17(12-8-15)23(24,25)26/h4-14H,1-3H3,(H,28,29).
What are the key properties of 2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide?
2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide has a molecular weight of 398.43 g/mol, XLogP of 6.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinolin-8-yl]propanamide is sourced from PubChem (CID 141483609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).