6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one

C20H17NO6 — CID 46949030

IUPAC6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1ccc2c(c1)NC1=C(C(=O)OC1)C2c1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C20H17NO6/c1-23-11-3-4-12-13(7-11)21-14-8-25-20(22)18(14)17(12)10-5-15(24-2)19-16(6-10)26-9-27-19/h3-7,17,21H,8-9H2,1-2H3
InChIKeyOWLSEJAZLQGGME-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.80
Rot. Bonds3

About 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one

6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one (PubChem CID 46949030) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
PubChem CID46949030
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1ccc2c(c1)NC1=C(C(=O)OC1)C2c1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C20H17NO6/c1-23-11-3-4-12-13(7-11)21-14-8-25-20(22)18(14)17(12)10-5-15(24-2)19-16(6-10)26-9-27-19/h3-7,17,21H,8-9H2,1-2H3
InChIKeyOWLSEJAZLQGGME-UHFFFAOYSA-N
XLogP2.80
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The IUPAC name of 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one (CID 46949030) is 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one.
What is the SMILES notation for 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The canonical SMILES for 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one is COc1ccc2c(c1)NC1=C(C(=O)OC1)C2c1cc(OC)c2c(c1)OCO2.
What is the InChIKey of 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The InChIKey is OWLSEJAZLQGGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-23-11-3-4-12-13(7-11)21-14-8-25-20(22)18(14)17(12)10-5-15(24-2)19-16(6-10)26-9-27-19/h3-7,17,21H,8-9H2,1-2H3.
What are the key properties of 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one has a molecular weight of 367.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one is sourced from PubChem (CID 46949030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).