(E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide

C18H13FN2O2 — CID 110420245

IUPAC(E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc2ccccc2[nH]c1=O)Nc1ccccc1F
InChIInChI=1S/C18H13FN2O2/c19-14-6-2-4-8-16(14)20-17(22)10-9-13-11-12-5-1-3-7-15(12)21-18(13)23/h1-11H,(H,20,22)(H,21,23)/b10-9+
InChIKeyWLMOEHSKPUNVOZ-MDZDMXLPSA-N
MW308.31 g/mol
LogP3.32
Rot. Bonds3

About (E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide

(E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide (PubChem CID 110420245) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is (E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
PubChem CID110420245
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name(E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc2ccccc2[nH]c1=O)Nc1ccccc1F
InChIInChI=1S/C18H13FN2O2/c19-14-6-2-4-8-16(14)20-17(22)10-9-13-11-12-5-1-3-7-15(12)21-18(13)23/h1-11H,(H,20,22)(H,21,23)/b10-9+
InChIKeyWLMOEHSKPUNVOZ-MDZDMXLPSA-N
XLogP3.32
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110426751
(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
ethyl 4-[[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]amino]benzoate
CID 110426664
(E)-N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110412791
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
(E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110613526
3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 135339943
3-[(E)-3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110613878

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide (CID 110420245) is (E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide is O=C(/C=C/c1cc2ccccc2[nH]c1=O)Nc1ccccc1F.
What is the InChIKey of (E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The InChIKey is WLMOEHSKPUNVOZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-14-6-2-4-8-16(14)20-17(22)10-9-13-11-12-5-1-3-7-15(12)21-18(13)23/h1-11H,(H,20,22)(H,21,23)/b10-9+.
What are the key properties of (E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
(E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide has a molecular weight of 308.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide is sourced from PubChem (CID 110420245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).