(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'}

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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).