3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide

C20H18FN3O — CID 74666374

IUPAC3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide
SMILESCN(C)c1ccc(C=CC(=O)Nc2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C20H18FN3O/c1-24(2)16-7-3-14(4-8-16)5-10-20(25)23-19-11-12-22-18-9-6-15(21)13-17(18)19/h3-13H,1-2H3,(H,22,23,25)
InChIKeyREXFMXIPYOXEJD-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.09
Rot. Bonds4

About 3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide

3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide (PubChem CID 74666374) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide
PubChem CID74666374
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide
SMILESCN(C)c1ccc(C=CC(=O)Nc2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C20H18FN3O/c1-24(2)16-7-3-14(4-8-16)5-10-20(25)23-19-11-12-22-18-9-6-15(21)13-17(18)19/h3-13H,1-2H3,(H,22,23,25)
InChIKeyREXFMXIPYOXEJD-UHFFFAOYSA-N
XLogP4.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)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)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide
CID 39851782
N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 78776344
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
(E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 42907058
(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide
CID 75408108
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833
(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 46426355
4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde
CID 157043577
3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide
CID 78905878
(E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide
CID 952560
(E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 7770255
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide (CID 74666374) is 3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide is CN(C)c1ccc(C=CC(=O)Nc2ccnc3ccc(F)cc23)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide?
The InChIKey is REXFMXIPYOXEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-24(2)16-7-3-14(4-8-16)5-10-20(25)23-19-11-12-22-18-9-6-15(21)13-17(18)19/h3-13H,1-2H3,(H,22,23,25).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide?
3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide has a molecular weight of 335.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-(6-fluoroquinolin-4-yl)prop-2-enamide is sourced from PubChem (CID 74666374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).