6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one

C20H19NO6 — CID 90690426

IUPAC6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1cc(C2c3ccc(O)cc3N=C3COC(=O)C32)cc(OC)c1OC
InChIInChI=1S/C20H19NO6/c1-24-15-6-10(7-16(25-2)19(15)26-3)17-12-5-4-11(22)8-13(12)21-14-9-27-20(23)18(14)17/h4-8,17-18,22H,9H2,1-3H3
InChIKeyWYVLNAQCGGJHQT-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.81
Rot. Bonds4

About 6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one

6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one (PubChem CID 90690426) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is 6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one
PubChem CID90690426
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1cc(C2c3ccc(O)cc3N=C3COC(=O)C32)cc(OC)c1OC
InChIInChI=1S/C20H19NO6/c1-24-15-6-10(7-16(25-2)19(15)26-3)17-12-5-4-11(22)8-13(12)21-14-9-27-20(23)18(14)17/h4-8,17-18,22H,9H2,1-3H3
InChIKeyWYVLNAQCGGJHQT-UHFFFAOYSA-N
XLogP2.81
TPSA86.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one with MolForge

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Related Compounds

6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one
CID 91430654
6-(4-chlorophenyl)-8-(3-hydroxy-4-methoxyphenyl)-4,11-dioxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-10-one
CID 123147633
4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 118296078
(3aS,4R,9aR)-6,7-dihydroxy-4-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one
CID 10937909
(3aS,4R,9S,9aR)-4-hydroxy-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
CID 162951250
8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one
CID 90919315
6-methoxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
CID 10833898
tris(1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol);hydrate;trihydrochloride
CID 23622611
(2R,3R)-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-ol
CID 101248074
(5R,5aS,8aS,9R)-5-amino-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
CID 10024722
7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 24796965
(5R,5aS,8aR,9R)-6-amino-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
CID 69216929

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one?
The IUPAC name of 6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one (CID 90690426) is 6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one.
What is the SMILES notation for 6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one?
The canonical SMILES for 6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one is COc1cc(C2c3ccc(O)cc3N=C3COC(=O)C32)cc(OC)c1OC.
What is the InChIKey of 6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one?
The InChIKey is WYVLNAQCGGJHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-24-15-6-10(7-16(25-2)19(15)26-3)17-12-5-4-11(22)8-13(12)21-14-9-27-20(23)18(14)17/h4-8,17-18,22H,9H2,1-3H3.
What are the key properties of 6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one?
6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one has a molecular weight of 369.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one is sourced from PubChem (CID 90690426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).