6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one

C24H27NO7 — CID 44593315

IUPAC6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1cc2c(cc1OC)C(C)(c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2C
InChIInChI=1S/C24H27NO7/c1-24(13-8-19(29-5)22(31-7)20(9-13)30-6)14-10-17(27-3)18(28-4)11-15(14)25(2)16-12-32-23(26)21(16)24/h8-11H,12H2,1-7H3
InChIKeyLYFXEMOEIJEDAX-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.30
Rot. Bonds6

About 6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one

6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one (PubChem CID 44593315) has the molecular formula C24H27NO7 and a molecular weight of 441.48 g/mol. Its IUPAC name is 6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one
PubChem CID44593315
Molecular FormulaC24H27NO7
Molecular Weight441.48 g/mol
Exact Mass441.18
IUPAC Name6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1cc2c(cc1OC)C(C)(c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2C
InChIInChI=1S/C24H27NO7/c1-24(13-8-19(29-5)22(31-7)20(9-13)30-6)14-10-17(27-3)18(28-4)11-15(14)25(2)16-12-32-23(26)21(16)24/h8-11H,12H2,1-7H3
InChIKeyLYFXEMOEIJEDAX-UHFFFAOYSA-N
XLogP3.30
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one?
The IUPAC name of 6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one (CID 44593315) is 6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one.
What is the SMILES notation for 6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one?
The canonical SMILES for 6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one is COc1cc2c(cc1OC)C(C)(c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2C.
What is the InChIKey of 6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one?
The InChIKey is LYFXEMOEIJEDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO7/c1-24(13-8-19(29-5)22(31-7)20(9-13)30-6)14-10-17(27-3)18(28-4)11-15(14)25(2)16-12-32-23(26)21(16)24/h8-11H,12H2,1-7H3.
What are the key properties of 6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one?
6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one has a molecular weight of 441.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4,9-dimethyl-9-(3,4,5-trimethoxyphenyl)-3H-furo[3,4-b]quinolin-1-one is sourced from PubChem (CID 44593315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).