6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one

C25H21NO5 — CID 165394321

IUPAC6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1ccc2nc(C)cc(-c3c4c(cc5cc(OC)c(OC)cc35)COC4=O)c2c1
InChIInChI=1S/C25H21NO5/c1-13-7-19(18-10-16(28-2)5-6-20(18)26-13)24-17-11-22(30-4)21(29-3)9-14(17)8-15-12-31-25(27)23(15)24/h5-11H,12H2,1-4H3
InChIKeyCCGVOHJOYUVGRU-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.06
Rot. Bonds4

About 6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one

6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one (PubChem CID 165394321) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one
PubChem CID165394321
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Name6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1ccc2nc(C)cc(-c3c4c(cc5cc(OC)c(OC)cc35)COC4=O)c2c1
InChIInChI=1S/C25H21NO5/c1-13-7-19(18-10-16(28-2)5-6-20(18)26-13)24-17-11-22(30-4)21(29-3)9-14(17)8-15-12-31-25(27)23(15)24/h5-11H,12H2,1-4H3
InChIKeyCCGVOHJOYUVGRU-UHFFFAOYSA-N
XLogP5.06
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one with MolForge

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Related Compounds

4-(8-fluoro-2-methylquinolin-4-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394240
6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one
CID 171059418
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220
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
6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one
CID 165394276
4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394194
6-methoxy-2-methyl-4-(4-methylphenyl)quinoline
CID 101221850
4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one
CID 142720681
bis[2-cyclohexyl-6-(6,7-dimethoxy-3-oxo-1H-benzo[f][2]benzofuran-4-yl)-1,3-benzodioxol-5-yl] carbonate
CID 171059349
5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397
6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
CID 165394332

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one (CID 165394321) is 6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one is COc1ccc2nc(C)cc(-c3c4c(cc5cc(OC)c(OC)cc35)COC4=O)c2c1.
What is the InChIKey of 6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is CCGVOHJOYUVGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-13-7-19(18-10-16(28-2)5-6-20(18)26-13)24-17-11-22(30-4)21(29-3)9-14(17)8-15-12-31-25(27)23(15)24/h5-11H,12H2,1-4H3.
What are the key properties of 6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one?
6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 415.45 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(6-methoxy-2-methylquinolin-4-yl)-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 165394321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).