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

C23H17NO4 — CID 171059418

IUPAC6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2cc3c(c(-c4ccc5cccnc5c4)c2cc1OC)C(=O)OC3
InChIInChI=1S/C23H17NO4/c1-26-19-10-15-8-16-12-28-23(25)22(16)21(17(15)11-20(19)27-2)14-6-5-13-4-3-7-24-18(13)9-14/h3-11H,12H2,1-2H3
InChIKeyGFGYLDPIBOFAOI-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.74
Rot. Bonds3

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

6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one (PubChem CID 171059418) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one
PubChem CID171059418
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2cc3c(c(-c4ccc5cccnc5c4)c2cc1OC)C(=O)OC3
InChIInChI=1S/C23H17NO4/c1-26-19-10-15-8-16-12-28-23(25)22(16)21(17(15)11-20(19)27-2)14-6-5-13-4-3-7-24-18(13)9-14/h3-11H,12H2,1-2H3
InChIKeyGFGYLDPIBOFAOI-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

6,7-dimethoxy-4-(4-piperazin-1-ylquinolin-7-yl)-1H-benzo[f][2]benzofuran-3-one
CID 165394402
4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394194
6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one
CID 165394276
N-[5-(6,7-dimethoxy-3-oxo-1H-benzo[f][2]benzofuran-4-yl)-2-pyridinyl]-N-methylacetamide
CID 165394309
6,7-dimethoxy-4-[2-(N,3,4-trimethylanilino)pyrimidin-5-yl]-1H-benzo[f][2]benzofuran-3-one
CID 165394407
4-[2-[bis(2-hydroxyethyl)amino]pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one;hydrochloride
CID 171059390
6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
CID 165394405
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 171059320
4-[2-[butyl(methyl)amino]pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394233
4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394183
4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394147
6,7-dimethoxy-4-[6-[methyl(2-methylbutyl)amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one;hydrochloride
CID 171059228

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one (CID 171059418) is 6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one is COc1cc2cc3c(c(-c4ccc5cccnc5c4)c2cc1OC)C(=O)OC3.
What is the InChIKey of 6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is GFGYLDPIBOFAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c1-26-19-10-15-8-16-12-28-23(25)22(16)21(17(15)11-20(19)27-2)14-6-5-13-4-3-7-24-18(13)9-14/h3-11H,12H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one?
6,7-dimethoxy-4-quinolin-7-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-7-yl-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 171059418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).