3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one

C22H15NO4 — CID 54729849

IUPAC3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one
SMILESO=C(/C=C/c1ccco1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C22H15NO4/c24-19(13-12-16-9-6-14-27-16)20-21(25)17-10-4-5-11-18(17)23(22(20)26)15-7-2-1-3-8-15/h1-14,25H/b13-12+
InChIKeyKUTVZAPPGAOTQW-OUKQBFOZSA-N
MW357.37 g/mol
LogP4.19
Rot. Bonds4

About 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one

3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one (PubChem CID 54729849) has the molecular formula C22H15NO4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one
PubChem CID54729849
Molecular FormulaC22H15NO4
Molecular Weight357.37 g/mol
Exact Mass357.10
IUPAC Name3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one
SMILESO=C(/C=C/c1ccco1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C22H15NO4/c24-19(13-12-16-9-6-14-27-16)20-21(25)17-10-4-5-11-18(17)23(22(20)26)15-7-2-1-3-8-15/h1-14,25H/b13-12+
InChIKeyKUTVZAPPGAOTQW-OUKQBFOZSA-N
XLogP4.19
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione
CID 54722131
prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate
CID 54737721
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 13402801
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 71814744
4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135470083
N-(2-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54731601
N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54731614
N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54712310
3-(furan-2-yl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one
CID 2837637
N-(4-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54736636
4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one
CID 102581403
6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one
CID 3158329

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one?
The IUPAC name of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one (CID 54729849) is 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one.
What is the SMILES notation for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one?
The canonical SMILES for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one is O=C(/C=C/c1ccco1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one?
The InChIKey is KUTVZAPPGAOTQW-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H15NO4/c24-19(13-12-16-9-6-14-27-16)20-21(25)17-10-4-5-11-18(17)23(22(20)26)15-7-2-1-3-8-15/h1-14,25H/b13-12+.
What are the key properties of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one?
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one has a molecular weight of 357.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-phenylquinolin-2-one is sourced from PubChem (CID 54729849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).