(E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

C21H18F3N3O — CID 10150552

IUPAC(E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1
InChIInChI=1S/C21H18F3N3O/c1-2-15-12-18(25)17-11-16(8-9-19(17)26-15)27-20(28)10-5-13-3-6-14(7-4-13)21(22,23)24/h3-12H,2H2,1H3,(H2,25,26)(H,27,28)/b10-5+
InChIKeyJSPCAZVSBDYEFS-BJMVGYQFSA-N
MW385.39 g/mol
LogP5.05
Rot. Bonds4

About (E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 10150552) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is (E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID10150552
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC Name(E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1
InChIInChI=1S/C21H18F3N3O/c1-2-15-12-18(25)17-11-16(8-9-19(17)26-15)27-20(28)10-5-13-3-6-14(7-4-13)21(22,23)24/h3-12H,2H2,1H3,(H2,25,26)(H,27,28)/b10-5+
InChIKeyJSPCAZVSBDYEFS-BJMVGYQFSA-N
XLogP5.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 68978733
ethyl 4-amino-2-propyl-6-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]quinoline-3-carboxylate
CID 10195473
(E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 10309789
(E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 15133402
(E)-N-(2-amino-1,3-benzothiazol-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;ethane
CID 142253716
(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 84553251
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
(E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2679050
2-methyl-N-[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]propanamide
CID 26679746
(E)-3-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 17071391
(E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 10216600
N-(3-acetamido-4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 103598616

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 10150552) is (E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is CCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1.
What is the InChIKey of (E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is JSPCAZVSBDYEFS-BJMVGYQFSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-2-15-12-18(25)17-11-16(8-9-19(17)26-15)27-20(28)10-5-13-3-6-14(7-4-13)21(22,23)24/h3-12H,2H2,1H3,(H2,25,26)(H,27,28)/b10-5+.
What are the key properties of (E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 385.39 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 10150552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).