4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one

C23H21NO5 — CID 146306395

IUPAC4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one
SMILESCOC1C(=O)Nc2ccc(C=Cc3ccoc3C)c(O)c2C1(O)c1ccccc1
InChIInChI=1S/C23H21NO5/c1-14-15(12-13-29-14)8-9-16-10-11-18-19(20(16)25)23(27,17-6-4-3-5-7-17)21(28-2)22(26)24-18/h3-13,21,25,27H,1-2H3,(H,24,26)
InChIKeyBHUVIVUMDFRVSA-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.67
Rot. Bonds4

About 4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one

4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one (PubChem CID 146306395) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is 4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one
PubChem CID146306395
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one
SMILESCOC1C(=O)Nc2ccc(C=Cc3ccoc3C)c(O)c2C1(O)c1ccccc1
InChIInChI=1S/C23H21NO5/c1-14-15(12-13-29-14)8-9-16-10-11-18-19(20(16)25)23(27,17-6-4-3-5-7-17)21(28-2)22(26)24-18/h3-13,21,25,27H,1-2H3,(H,24,26)
InChIKeyBHUVIVUMDFRVSA-UHFFFAOYSA-N
XLogP3.67
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one (CID 146306395) is 4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one is COC1C(=O)Nc2ccc(C=Cc3ccoc3C)c(O)c2C1(O)c1ccccc1.
What is the InChIKey of 4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one?
The InChIKey is BHUVIVUMDFRVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-14-15(12-13-29-14)8-9-16-10-11-18-19(20(16)25)23(27,17-6-4-3-5-7-17)21(28-2)22(26)24-18/h3-13,21,25,27H,1-2H3,(H,24,26).
What are the key properties of 4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one?
4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one has a molecular weight of 391.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-3-methoxy-6-[2-(2-methylfuran-3-yl)ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 146306395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).