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

C26H23NO5 — CID 44593179

IUPAC9-(3,5-dimethoxyphenyl)-6-phenylmethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1cc(OC)cc(C2C3=C(COC3=O)Nc3cc(OCc4ccccc4)ccc32)c1
InChIInChI=1S/C26H23NO5/c1-29-19-10-17(11-20(12-19)30-2)24-21-9-8-18(31-14-16-6-4-3-5-7-16)13-22(21)27-23-15-32-26(28)25(23)24/h3-13,24,27H,14-15H2,1-2H3
InChIKeyBKXVMMGJUGJPIE-UHFFFAOYSA-N
MW429.47 g/mol
LogP4.65
Rot. Bonds6

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

9-(3,5-dimethoxyphenyl)-6-phenylmethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one (PubChem CID 44593179) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 9-(3,5-dimethoxyphenyl)-6-phenylmethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-(3,5-dimethoxyphenyl)-6-phenylmethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
PubChem CID44593179
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name9-(3,5-dimethoxyphenyl)-6-phenylmethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
SMILESCOc1cc(OC)cc(C2C3=C(COC3=O)Nc3cc(OCc4ccccc4)ccc32)c1
InChIInChI=1S/C26H23NO5/c1-29-19-10-17(11-20(12-19)30-2)24-21-9-8-18(31-14-16-6-4-3-5-7-16)13-22(21)27-23-15-32-26(28)25(23)24/h3-13,24,27H,14-15H2,1-2H3
InChIKeyBKXVMMGJUGJPIE-UHFFFAOYSA-N
XLogP4.65
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.65
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-phenylmethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The IUPAC name of 9-(3,5-dimethoxyphenyl)-6-phenylmethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one (CID 44593179) is 9-(3,5-dimethoxyphenyl)-6-phenylmethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-(3,5-dimethoxyphenyl)-6-phenylmethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-(3,5-dimethoxyphenyl)-6-phenylmethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one is COc1cc(OC)cc(C2C3=C(COC3=O)Nc3cc(OCc4ccccc4)ccc32)c1.
What is the InChIKey of 9-(3,5-dimethoxyphenyl)-6-phenylmethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
The InChIKey is BKXVMMGJUGJPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-29-19-10-17(11-20(12-19)30-2)24-21-9-8-18(31-14-16-6-4-3-5-7-16)13-22(21)27-23-15-32-26(28)25(23)24/h3-13,24,27H,14-15H2,1-2H3.
What are the key properties of 9-(3,5-dimethoxyphenyl)-6-phenylmethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one?
9-(3,5-dimethoxyphenyl)-6-phenylmethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one has a molecular weight of 429.47 g/mol, XLogP of 4.65, 6 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-phenylmethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one is sourced from PubChem (CID 44593179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).