3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one

C21H19NO6 — CID 141127544

IUPAC3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1cc(-c2c3c(nc4ccccc24)C(OC)OC3=O)cc(OC)c1OC
InChIInChI=1S/C21H19NO6/c1-24-14-9-11(10-15(25-2)19(14)26-3)16-12-7-5-6-8-13(12)22-18-17(16)20(23)28-21(18)27-4/h5-10,21H,1-4H3
InChIKeyGVYUFOYSDHGICN-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.74
Rot. Bonds5

About 3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one

3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one (PubChem CID 141127544) has the molecular formula C21H19NO6 and a molecular weight of 381.38 g/mol. Its IUPAC name is 3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one
PubChem CID141127544
Molecular FormulaC21H19NO6
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC Name3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1cc(-c2c3c(nc4ccccc24)C(OC)OC3=O)cc(OC)c1OC
InChIInChI=1S/C21H19NO6/c1-24-14-9-11(10-15(25-2)19(14)26-3)16-12-7-5-6-8-13(12)22-18-17(16)20(23)28-21(18)27-4/h5-10,21H,1-4H3
InChIKeyGVYUFOYSDHGICN-UHFFFAOYSA-N
XLogP3.74
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one
CID 146170256
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 777426
2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 67327308
4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline
CID 90435743
2-[2-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one
CID 162668702
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46225317
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 160986314
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 627307
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
CID 102188168
2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol
CID 171988113
bis[2-methoxy-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl] benzene-1,4-dicarboxylate
CID 3098427

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one?
The IUPAC name of 3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one (CID 141127544) is 3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one.
What is the SMILES notation for 3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one?
The canonical SMILES for 3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one is COc1cc(-c2c3c(nc4ccccc24)C(OC)OC3=O)cc(OC)c1OC.
What is the InChIKey of 3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one?
The InChIKey is GVYUFOYSDHGICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO6/c1-24-14-9-11(10-15(25-2)19(14)26-3)16-12-7-5-6-8-13(12)22-18-17(16)20(23)28-21(18)27-4/h5-10,21H,1-4H3.
What are the key properties of 3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one?
3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one has a molecular weight of 381.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one is sourced from PubChem (CID 141127544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).