6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one

C22H23NO7 — CID 91430654

IUPAC6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1cc2c(c(OC)c1)C(c1cc(OC)c(OC)c(OC)c1)C1C(=O)OCC1=N2
InChIInChI=1S/C22H23NO7/c1-25-12-8-13-19(15(9-12)26-2)18(20-14(23-13)10-30-22(20)24)11-6-16(27-3)21(29-5)17(7-11)28-4/h6-9,18,20H,10H2,1-5H3
InChIKeyRZDXTPNWFWLLOK-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.12
Rot. Bonds6

About 6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one

6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one (PubChem CID 91430654) has the molecular formula C22H23NO7 and a molecular weight of 413.43 g/mol. Its IUPAC name is 6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one
PubChem CID91430654
Molecular FormulaC22H23NO7
Molecular Weight413.43 g/mol
Exact Mass413.15
IUPAC Name6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1cc2c(c(OC)c1)C(c1cc(OC)c(OC)c(OC)c1)C1C(=O)OCC1=N2
InChIInChI=1S/C22H23NO7/c1-25-12-8-13-19(15(9-12)26-2)18(20-14(23-13)10-30-22(20)24)11-6-16(27-3)21(29-5)17(7-11)28-4/h6-9,18,20H,10H2,1-5H3
InChIKeyRZDXTPNWFWLLOK-UHFFFAOYSA-N
XLogP3.12
TPSA84.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one?
The IUPAC name of 6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one (CID 91430654) is 6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one.
What is the SMILES notation for 6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one?
The canonical SMILES for 6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one is COc1cc2c(c(OC)c1)C(c1cc(OC)c(OC)c(OC)c1)C1C(=O)OCC1=N2.
What is the InChIKey of 6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one?
The InChIKey is RZDXTPNWFWLLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO7/c1-25-12-8-13-19(15(9-12)26-2)18(20-14(23-13)10-30-22(20)24)11-6-16(27-3)21(29-5)17(7-11)28-4/h6-9,18,20H,10H2,1-5H3.
What are the key properties of 6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one?
6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one has a molecular weight of 413.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-9-(3,4,5-trimethoxyphenyl)-9,9a-dihydro-3H-furo[3,4-b]quinolin-1-one is sourced from PubChem (CID 91430654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).