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

C20H17N3O3 — CID 110423772

IUPAC(E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
SMILESCC(=O)Nc1cccc(NC(=O)/C=C/c2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C20H17N3O3/c1-13(24)21-16-6-4-7-17(12-16)22-19(25)10-9-15-11-14-5-2-3-8-18(14)23-20(15)26/h2-12H,1H3,(H,21,24)(H,22,25)(H,23,26)/b10-9+
InChIKeyFFRVDXBSSZEATI-MDZDMXLPSA-N
MW347.37 g/mol
LogP3.14
Rot. Bonds4

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

(E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide (PubChem CID 110423772) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is (E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
PubChem CID110423772
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name(E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
SMILESCC(=O)Nc1cccc(NC(=O)/C=C/c2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C20H17N3O3/c1-13(24)21-16-6-4-7-17(12-16)22-19(25)10-9-15-11-14-5-2-3-8-18(14)23-20(15)26/h2-12H,1H3,(H,21,24)(H,22,25)(H,23,26)/b10-9+
InChIKeyFFRVDXBSSZEATI-MDZDMXLPSA-N
XLogP3.14
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110428944
ethyl 4-[[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]amino]benzoate
CID 110426664
(E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110420245
(E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110426751
3-[3-(2,6-dimethoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 135339943
(E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110623379
(E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110613526
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
(E)-N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110412791
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
(E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110627981
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 36824939

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide (CID 110423772) is (E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide is CC(=O)Nc1cccc(NC(=O)/C=C/c2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of (E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The InChIKey is FFRVDXBSSZEATI-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13(24)21-16-6-4-7-17(12-16)22-19(25)10-9-15-11-14-5-2-3-8-18(14)23-20(15)26/h2-12H,1H3,(H,21,24)(H,22,25)(H,23,26)/b10-9+.
What are the key properties of (E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
(E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide has a molecular weight of 347.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide is sourced from PubChem (CID 110423772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).