(E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide

C22H24F2N2O — CID 22605599

IUPAC(E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide
SMILESCCN1CCCc2ccc(C(C)NC(=O)/C=C/c3cc(F)ccc3F)cc21
InChIInChI=1S/C22H24F2N2O/c1-3-26-12-4-5-16-6-7-17(14-21(16)26)15(2)25-22(27)11-8-18-13-19(23)9-10-20(18)24/h6-11,13-15H,3-5,12H2,1-2H3,(H,25,27)/b11-8+
InChIKeyIKPZBCWWSCBFJQ-DHZHZOJOSA-N
MW370.44 g/mol
LogP4.63
Rot. Bonds5

About (E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide

(E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide (PubChem CID 22605599) has the molecular formula C22H24F2N2O and a molecular weight of 370.44 g/mol. Its IUPAC name is (E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide
PubChem CID22605599
Molecular FormulaC22H24F2N2O
Molecular Weight370.44 g/mol
Exact Mass370.19
IUPAC Name(E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide
SMILESCCN1CCCc2ccc(C(C)NC(=O)/C=C/c3cc(F)ccc3F)cc21
InChIInChI=1S/C22H24F2N2O/c1-3-26-12-4-5-16-6-7-17(14-21(16)26)15(2)25-22(27)11-8-18-13-19(23)9-10-20(18)24/h6-11,13-15H,3-5,12H2,1-2H3,(H,25,27)/b11-8+
InChIKeyIKPZBCWWSCBFJQ-DHZHZOJOSA-N
XLogP4.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide (CID 22605599) is (E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide is CCN1CCCc2ccc(C(C)NC(=O)/C=C/c3cc(F)ccc3F)cc21.
What is the InChIKey of (E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide?
The InChIKey is IKPZBCWWSCBFJQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H24F2N2O/c1-3-26-12-4-5-16-6-7-17(14-21(16)26)15(2)25-22(27)11-8-18-13-19(23)9-10-20(18)24/h6-11,13-15H,3-5,12H2,1-2H3,(H,25,27)/b11-8+.
What are the key properties of (E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide?
(E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide has a molecular weight of 370.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-difluorophenyl)-N-[1-(1-ethyl-3,4-dihydro-2H-quinolin-7-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 22605599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).