4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one

C25H27NO5 — CID 165394147

IUPAC4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
SMILESCCN(CCOC)c1ccc(-c2c3c(cc4cc(OC)c(OC)cc24)COC3=O)cc1
InChIInChI=1S/C25H27NO5/c1-5-26(10-11-28-2)19-8-6-16(7-9-19)23-20-14-22(30-4)21(29-3)13-17(20)12-18-15-31-25(27)24(18)23/h6-9,12-14H,5,10-11,15H2,1-4H3
InChIKeyNOYHOSIAPNRUSU-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.67
Rot. Bonds8

About 4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one

4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one (PubChem CID 165394147) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
PubChem CID165394147
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
SMILESCCN(CCOC)c1ccc(-c2c3c(cc4cc(OC)c(OC)cc24)COC3=O)cc1
InChIInChI=1S/C25H27NO5/c1-5-26(10-11-28-2)19-8-6-16(7-9-19)23-20-14-22(30-4)21(29-3)13-17(20)12-18-15-31-25(27)24(18)23/h6-9,12-14H,5,10-11,15H2,1-4H3
InChIKeyNOYHOSIAPNRUSU-UHFFFAOYSA-N
XLogP4.67
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394194
6,7-dimethoxy-4-[2-(N,3,4-trimethylanilino)pyrimidin-5-yl]-1H-benzo[f][2]benzofuran-3-one
CID 165394407
4-[2-(dioctylamino)pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394256
4-[2-[bis(2-hydroxyethyl)amino]pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one;hydrochloride
CID 171059390
4-[2-[butyl(methyl)amino]pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394233
6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one
CID 171059418
6,7-dimethoxy-4-[6-[methyl(2-methylbutyl)amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one;hydrochloride
CID 171059228
N-[5-(6,7-dimethoxy-3-oxo-1H-benzo[f][2]benzofuran-4-yl)-2-pyridinyl]-N-methylacetamide
CID 165394309
6,7-dimethoxy-4-[6-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
CID 171059358
6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
CID 165394332
6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
CID 165394405
4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394183

Frequently Asked Questions

What is the IUPAC name of 4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one (CID 165394147) is 4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one is CCN(CCOC)c1ccc(-c2c3c(cc4cc(OC)c(OC)cc24)COC3=O)cc1.
What is the InChIKey of 4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is NOYHOSIAPNRUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-5-26(10-11-28-2)19-8-6-16(7-9-19)23-20-14-22(30-4)21(29-3)13-17(20)12-18-15-31-25(27)24(18)23/h6-9,12-14H,5,10-11,15H2,1-4H3.
What are the key properties of 4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 421.49 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 165394147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).