N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide

C21H19F3N2O2 — CID 4989152

IUPACN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccccc3C(F)(F)F)cc12
InChIInChI=1S/C21H19F3N2O2/c1-12-7-8-13(2)18-16(12)11-14(19(27)26-18)9-10-25-20(28)15-5-3-4-6-17(15)21(22,23)24/h3-8,11H,9-10H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyXEHBNJRHKIAVDY-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.14
Rot. Bonds4

About N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide

N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 4989152) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID4989152
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC NameN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccccc3C(F)(F)F)cc12
InChIInChI=1S/C21H19F3N2O2/c1-12-7-8-13(2)18-16(12)11-14(19(27)26-18)9-10-25-20(28)15-5-3-4-6-17(15)21(22,23)24/h3-8,11H,9-10H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyXEHBNJRHKIAVDY-UHFFFAOYSA-N
XLogP4.14
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide
CID 3460766
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 4191562
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 5017374
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 5121477
(Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
CID 16814021
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4097912
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide
CID 4257940
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-ethoxynaphthalene-1-carboxamide
CID 7080101
2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110415717
3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 3672068
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4077939
1-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea
CID 7136945

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide (CID 4989152) is N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide is Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccccc3C(F)(F)F)cc12.
What is the InChIKey of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is XEHBNJRHKIAVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-12-7-8-13(2)18-16(12)11-14(19(27)26-18)9-10-25-20(28)15-5-3-4-6-17(15)21(22,23)24/h3-8,11H,9-10H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide?
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 388.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 4989152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).