6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

C25H25NO4 — CID 146306205

IUPAC6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESCOC1C(=O)Nc2ccc(C=C(C)c3cc(C)c(C)o3)cc2C1(O)c1ccccc1
InChIInChI=1S/C25H25NO4/c1-15-13-22(30-17(15)3)16(2)12-18-10-11-21-20(14-18)25(28,19-8-6-5-7-9-19)23(29-4)24(27)26-21/h5-14,23,28H,1-4H3,(H,26,27)
InChIKeyCVJPNNXIVHVGFI-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.66
Rot. Bonds4

About 6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (PubChem CID 146306205) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
PubChem CID146306205
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESCOC1C(=O)Nc2ccc(C=C(C)c3cc(C)c(C)o3)cc2C1(O)c1ccccc1
InChIInChI=1S/C25H25NO4/c1-15-13-22(30-17(15)3)16(2)12-18-10-11-21-20(14-18)25(28,19-8-6-5-7-9-19)23(29-4)24(27)26-21/h5-14,23,28H,1-4H3,(H,26,27)
InChIKeyCVJPNNXIVHVGFI-UHFFFAOYSA-N
XLogP4.66
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (CID 146306205) is 6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is COC1C(=O)Nc2ccc(C=C(C)c3cc(C)c(C)o3)cc2C1(O)c1ccccc1.
What is the InChIKey of 6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The InChIKey is CVJPNNXIVHVGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-15-13-22(30-17(15)3)16(2)12-18-10-11-21-20(14-18)25(28,19-8-6-5-7-9-19)23(29-4)24(27)26-21/h5-14,23,28H,1-4H3,(H,26,27).
What are the key properties of 6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one has a molecular weight of 403.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4,5-dimethylfuran-2-yl)prop-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 146306205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).