2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide

C22H19F3N2O — CID 132547082

IUPAC2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide
SMILESCC/C=C/Cc1cccc(C(F)(F)F)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H19F3N2O/c1-2-3-4-8-15-9-5-12-17(22(23,24)25)19(15)21(28)27-18-13-6-10-16-11-7-14-26-20(16)18/h3-7,9-14H,2,8H2,1H3,(H,27,28)/b4-3+
InChIKeyZXCUVENWCSANMS-ONEGZZNKSA-N
MW384.40 g/mol
LogP6.01
Rot. Bonds5

About 2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide

2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide (PubChem CID 132547082) has the molecular formula C22H19F3N2O and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide
PubChem CID132547082
Molecular FormulaC22H19F3N2O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC Name2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide
SMILESCC/C=C/Cc1cccc(C(F)(F)F)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H19F3N2O/c1-2-3-4-8-15-9-5-12-17(22(23,24)25)19(15)21(28)27-18-13-6-10-16-11-7-14-26-20(16)18/h3-7,9-14H,2,8H2,1H3,(H,27,28)/b4-3+
InChIKeyZXCUVENWCSANMS-ONEGZZNKSA-N
XLogP6.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-quinolin-8-ylhex-3-enamide
CID 151663814
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide
CID 177414845
ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate
CID 177421330
1-(2,6-diethylphenyl)-3-quinolin-8-ylthiourea
CID 23732072
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
CID 113175089
2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
CID 71657963
2-phenyl-N-quinolin-8-yl-6-(2-triethylsilylethyl)benzamide
CID 177432131
2-methyl-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 132837940
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-quinolin-8-ylacetamide
CID 55488501
1-propyl-3-quinolin-8-ylurea
CID 13078451
2-(aminomethyl)-N-quinolin-8-ylbenzamide
CID 82546402

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide (CID 132547082) is 2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide is CC/C=C/Cc1cccc(C(F)(F)F)c1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide?
The InChIKey is ZXCUVENWCSANMS-ONEGZZNKSA-N. The full InChI is InChI=1S/C22H19F3N2O/c1-2-3-4-8-15-9-5-12-17(22(23,24)25)19(15)21(28)27-18-13-6-10-16-11-7-14-26-20(16)18/h3-7,9-14H,2,8H2,1H3,(H,27,28)/b4-3+.
What are the key properties of 2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide?
2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide has a molecular weight of 384.40 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 132547082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).