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

C23H20F3N3O2 — CID 10216600

IUPAC(E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCOCC3)ccc2c1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)18-5-1-16(2-6-18)3-10-22(30)27-19-7-8-20-17(15-19)4-9-21(28-20)29-11-13-31-14-12-29/h1-10,15H,11-14H2,(H,27,30)/b10-3+
InChIKeySEBSZXYZIWHPMW-XCVCLJGOSA-N
MW427.43 g/mol
LogP4.74
Rot. Bonds4

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

(E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 10216600) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is (E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID10216600
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name(E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCOCC3)ccc2c1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)18-5-1-16(2-6-18)3-10-22(30)27-19-7-8-20-17(15-19)4-9-21(28-20)29-11-13-31-14-12-29/h1-10,15H,11-14H2,(H,27,30)/b10-3+
InChIKeySEBSZXYZIWHPMW-XCVCLJGOSA-N
XLogP4.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 10173547
3-(4-bromophenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)prop-2-enamide
CID 3266592
(E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 10150552
(E)-N-(2-amino-1,3-benzothiazol-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;ethane
CID 142253716
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4662421
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide
CID 155125670
(E)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6124008
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 9097940
(E)-3-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 17071391
(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 84553251
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 878244

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 10216600) is (E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCOCC3)ccc2c1.
What is the InChIKey of (E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is SEBSZXYZIWHPMW-XCVCLJGOSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)18-5-1-16(2-6-18)3-10-22(30)27-19-7-8-20-17(15-19)4-9-21(28-20)29-11-13-31-14-12-29/h1-10,15H,11-14H2,(H,27,30)/b10-3+.
What are the key properties of (E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 427.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-morpholin-4-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 10216600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).