9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one

C24H27NO6 — CID 44593318

IUPAC9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one
SMILESCCN1C2=C(C(=O)OC2)C(C)(c2cc(OC)cc(OC)c2)c2cc(OC)c(OC)cc21
InChIInChI=1S/C24H27NO6/c1-7-25-18-12-21(30-6)20(29-5)11-17(18)24(2,22-19(25)13-31-23(22)26)14-8-15(27-3)10-16(9-14)28-4/h8-12H,7,13H2,1-6H3
InChIKeyUNHXRQSUQITNPV-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.68
Rot. Bonds6

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

9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one (PubChem CID 44593318) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is 9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one
PubChem CID44593318
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one
SMILESCCN1C2=C(C(=O)OC2)C(C)(c2cc(OC)cc(OC)c2)c2cc(OC)c(OC)cc21
InChIInChI=1S/C24H27NO6/c1-7-25-18-12-21(30-6)20(29-5)11-17(18)24(2,22-19(25)13-31-23(22)26)14-8-15(27-3)10-16(9-14)28-4/h8-12H,7,13H2,1-6H3
InChIKeyUNHXRQSUQITNPV-UHFFFAOYSA-N
XLogP3.68
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one?
The IUPAC name of 9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one (CID 44593318) is 9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one is CCN1C2=C(C(=O)OC2)C(C)(c2cc(OC)cc(OC)c2)c2cc(OC)c(OC)cc21.
What is the InChIKey of 9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one?
The InChIKey is UNHXRQSUQITNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO6/c1-7-25-18-12-21(30-6)20(29-5)11-17(18)24(2,22-19(25)13-31-23(22)26)14-8-15(27-3)10-16(9-14)28-4/h8-12H,7,13H2,1-6H3.
What are the key properties of 9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one?
9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one has a molecular weight of 425.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-9-methyl-3H-furo[3,4-b]quinolin-1-one is sourced from PubChem (CID 44593318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).