(E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide

C18H12F2N2O2 — CID 110426751

IUPAC(E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc2ccccc2[nH]c1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H12F2N2O2/c19-13-6-7-16(14(20)10-13)21-17(23)8-5-12-9-11-3-1-2-4-15(11)22-18(12)24/h1-10H,(H,21,23)(H,22,24)/b8-5+
InChIKeyYPBMZUWVXCJOCM-VMPITWQZSA-N
MW326.30 g/mol
LogP3.46
Rot. Bonds3

About (E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide

(E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide (PubChem CID 110426751) has the molecular formula C18H12F2N2O2 and a molecular weight of 326.30 g/mol. Its IUPAC name is (E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
PubChem CID110426751
Molecular FormulaC18H12F2N2O2
Molecular Weight326.30 g/mol
Exact Mass326.09
IUPAC Name(E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc2ccccc2[nH]c1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H12F2N2O2/c19-13-6-7-16(14(20)10-13)21-17(23)8-5-12-9-11-3-1-2-4-15(11)22-18(12)24/h1-10H,(H,21,23)(H,22,24)/b8-5+
InChIKeyYPBMZUWVXCJOCM-VMPITWQZSA-N
XLogP3.46
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-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)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110420245
(E)-N-(3,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110428944
(E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110423772
N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4023340
3-(4,6-dichloro-1H-indol-3-yl)-N-(2,4-difluorophenyl)prop-2-enamide
CID 174363440
ethyl 4-[[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]amino]benzoate
CID 110426664
3-[(E)-3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110613878
(E)-N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110412791
3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 135339943
N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
(E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110623379
3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 71898468

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide (CID 110426751) is (E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide is O=C(/C=C/c1cc2ccccc2[nH]c1=O)Nc1ccc(F)cc1F.
What is the InChIKey of (E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The InChIKey is YPBMZUWVXCJOCM-VMPITWQZSA-N. The full InChI is InChI=1S/C18H12F2N2O2/c19-13-6-7-16(14(20)10-13)21-17(23)8-5-12-9-11-3-1-2-4-15(11)22-18(12)24/h1-10H,(H,21,23)(H,22,24)/b8-5+.
What are the key properties of (E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
(E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide has a molecular weight of 326.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide is sourced from PubChem (CID 110426751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).