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

C17H13NO4 — CID 54698735

IUPAC3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(=O)/C=C/c2ccco2)c(O)c2ccccc21
InChIInChI=1S/C17H13NO4/c1-18-13-7-3-2-6-12(13)16(20)15(17(18)21)14(19)9-8-11-5-4-10-22-11/h2-10,20H,1H3/b9-8+
InChIKeyBOWUYWXPNLRIGM-CMDGGOBGSA-N
MW295.29 g/mol
LogP2.73
Rot. Bonds3

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

3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methylquinolin-2-one (PubChem CID 54698735) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methylquinolin-2-one
PubChem CID54698735
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(=O)/C=C/c2ccco2)c(O)c2ccccc21
InChIInChI=1S/C17H13NO4/c1-18-13-7-3-2-6-12(13)16(20)15(17(18)21)14(19)9-8-11-5-4-10-22-11/h2-10,20H,1H3/b9-8+
InChIKeyBOWUYWXPNLRIGM-CMDGGOBGSA-N
XLogP2.73
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methylquinolin-2-one (CID 54698735) is 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methylquinolin-2-one is Cn1c(=O)c(C(=O)/C=C/c2ccco2)c(O)c2ccccc21.
What is the InChIKey of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is BOWUYWXPNLRIGM-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H13NO4/c1-18-13-7-3-2-6-12(13)16(20)15(17(18)21)14(19)9-8-11-5-4-10-22-11/h2-10,20H,1H3/b9-8+.
What are the key properties of 3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methylquinolin-2-one?
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 295.29 g/mol, XLogP of 2.73, 3 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-methylquinolin-2-one is sourced from PubChem (CID 54698735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).