6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one

C23H17NO4 — CID 165394203

IUPAC6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2cc3c(c(-c4cccc5ncccc45)c2cc1OC)C(=O)OC3
InChIInChI=1S/C23H17NO4/c1-26-19-10-13-9-14-12-28-23(25)21(14)22(17(13)11-20(19)27-2)16-5-3-7-18-15(16)6-4-8-24-18/h3-11H,12H2,1-2H3
InChIKeyLCHTWPWGCSGFTD-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.74
Rot. Bonds3

About 6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one

6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one (PubChem CID 165394203) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one
PubChem CID165394203
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2cc3c(c(-c4cccc5ncccc45)c2cc1OC)C(=O)OC3
InChIInChI=1S/C23H17NO4/c1-26-19-10-13-9-14-12-28-23(25)21(14)22(17(13)11-20(19)27-2)16-5-3-7-18-15(16)6-4-8-24-18/h3-11H,12H2,1-2H3
InChIKeyLCHTWPWGCSGFTD-UHFFFAOYSA-N
XLogP4.74
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 97662
CID 97662
CID 25659
CID 25659
CID 10144
CID 10144
CID 3084224
CID 3084224
CID 15634400
CID 15634400
CID 122691
CID 122691
CID 97622
CID 97622
CID 11372171
CID 11372171
CID 177744
CID 177744
CID 44472985
CID 44472985
CID 150032
CID 150032
CID 72351
CID 72351

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one (CID 165394203) is 6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one is COc1cc2cc3c(c(-c4cccc5ncccc45)c2cc1OC)C(=O)OC3.
What is the InChIKey of 6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is LCHTWPWGCSGFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c1-26-19-10-13-9-14-12-28-23(25)21(14)22(17(13)11-20(19)27-2)16-5-3-7-18-15(16)6-4-8-24-18/h3-11H,12H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one?
6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 371.39 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-quinolin-5-yl-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 165394203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).