9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one

C20H19NO5 — CID 44593137

IUPAC9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1cc(OC)cc(C2C3=C(COC3=O)Nc3cc(OC)ccc32)c1
InChIInChI=1S/C20H19NO5/c1-23-12-4-5-15-16(9-12)21-17-10-26-20(22)19(17)18(15)11-6-13(24-2)8-14(7-11)25-3/h4-9,18,21H,10H2,1-3H3
InChIKeyLGJCFMXXNMRJEO-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.08
Rot. Bonds4

About 9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one

9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one (PubChem CID 44593137) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
PubChem CID44593137
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1cc(OC)cc(C2C3=C(COC3=O)Nc3cc(OC)ccc32)c1
InChIInChI=1S/C20H19NO5/c1-23-12-4-5-15-16(9-12)21-17-10-26-20(22)19(17)18(15)11-6-13(24-2)8-14(7-11)25-3/h4-9,18,21H,10H2,1-3H3
InChIKeyLGJCFMXXNMRJEO-UHFFFAOYSA-N
XLogP3.08
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The IUPAC name of 9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one (CID 44593137) is 9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one is COc1cc(OC)cc(C2C3=C(COC3=O)Nc3cc(OC)ccc32)c1.
What is the InChIKey of 9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The InChIKey is LGJCFMXXNMRJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-23-12-4-5-15-16(9-12)21-17-10-26-20(22)19(17)18(15)11-6-13(24-2)8-14(7-11)25-3/h4-9,18,21H,10H2,1-3H3.
What are the key properties of 9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one has a molecular weight of 353.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethoxyphenyl)-6-methoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one is sourced from PubChem (CID 44593137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).