4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one

C24H27NO8 — CID 118715246

IUPAC4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one
SMILESCOc1cc2c(cc1OC)N(CCO)C1=C(C(=O)OC1)C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H27NO8/c1-28-17-10-14-15(11-18(17)29-2)25(6-7-26)16-12-33-24(27)22(16)21(14)13-8-19(30-3)23(32-5)20(9-13)31-4/h8-11,21,26H,6-7,12H2,1-5H3
InChIKeyWPUWCZQLUPXMJT-UHFFFAOYSA-N
MW457.48 g/mol
LogP2.48
Rot. Bonds8

About 4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one

4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one (PubChem CID 118715246) has the molecular formula C24H27NO8 and a molecular weight of 457.48 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one
PubChem CID118715246
Molecular FormulaC24H27NO8
Molecular Weight457.48 g/mol
Exact Mass457.17
IUPAC Name4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one
SMILESCOc1cc2c(cc1OC)N(CCO)C1=C(C(=O)OC1)C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H27NO8/c1-28-17-10-14-15(11-18(17)29-2)25(6-7-26)16-12-33-24(27)22(16)21(14)13-8-19(30-3)23(32-5)20(9-13)31-4/h8-11,21,26H,6-7,12H2,1-5H3
InChIKeyWPUWCZQLUPXMJT-UHFFFAOYSA-N
XLogP2.48
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one?
The IUPAC name of 4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one (CID 118715246) is 4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one?
The canonical SMILES for 4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one is COc1cc2c(cc1OC)N(CCO)C1=C(C(=O)OC1)C2c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one?
The InChIKey is WPUWCZQLUPXMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO8/c1-28-17-10-14-15(11-18(17)29-2)25(6-7-26)16-12-33-24(27)22(16)21(14)13-8-19(30-3)23(32-5)20(9-13)31-4/h8-11,21,26H,6-7,12H2,1-5H3.
What are the key properties of 4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one?
4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one has a molecular weight of 457.48 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3,9-dihydrofuro[3,4-b]quinolin-1-one is sourced from PubChem (CID 118715246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).