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

C21H21NO4 — CID 44593269

IUPAC9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1cc(OC)cc(C2C3=C(COC3=O)Nc3c2ccc(C)c3C)c1
InChIInChI=1S/C21H21NO4/c1-11-5-6-16-18(13-7-14(24-3)9-15(8-13)25-4)19-17(10-26-21(19)23)22-20(16)12(11)2/h5-9,18,22H,10H2,1-4H3
InChIKeyCYNSMARVTUDOAM-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.69
Rot. Bonds3

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

9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one (PubChem CID 44593269) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
PubChem CID44593269
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1cc(OC)cc(C2C3=C(COC3=O)Nc3c2ccc(C)c3C)c1
InChIInChI=1S/C21H21NO4/c1-11-5-6-16-18(13-7-14(24-3)9-15(8-13)25-4)19-17(10-26-21(19)23)22-20(16)12(11)2/h5-9,18,22H,10H2,1-4H3
InChIKeyCYNSMARVTUDOAM-UHFFFAOYSA-N
XLogP3.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The IUPAC name of 9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one (CID 44593269) is 9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one is COc1cc(OC)cc(C2C3=C(COC3=O)Nc3c2ccc(C)c3C)c1.
What is the InChIKey of 9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The InChIKey is CYNSMARVTUDOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-11-5-6-16-18(13-7-14(24-3)9-15(8-13)25-4)19-17(10-26-21(19)23)22-20(16)12(11)2/h5-9,18,22H,10H2,1-4H3.
What are the key properties of 9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one has a molecular weight of 351.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethoxyphenyl)-5,6-dimethyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one is sourced from PubChem (CID 44593269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).