1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one

C25H24N2O3 — CID 90198810

IUPAC1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one
SMILESCCN1CCc2oc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc3c2C1
InChIInChI=1S/C25H24N2O3/c1-2-26-12-11-23-22(16-26)21-9-8-19(14-24(21)30-23)27-13-10-20(15-25(27)28)29-17-18-6-4-3-5-7-18/h3-10,13-15H,2,11-12,16-17H2,1H3
InChIKeyFAYNDWNNVIZWFZ-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.54
Rot. Bonds5

About 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one

1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one (PubChem CID 90198810) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one
PubChem CID90198810
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one
SMILESCCN1CCc2oc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc3c2C1
InChIInChI=1S/C25H24N2O3/c1-2-26-12-11-23-22(16-26)21-9-8-19(14-24(21)30-23)27-13-10-20(15-25(27)28)29-17-18-6-4-3-5-7-18/h3-10,13-15H,2,11-12,16-17H2,1H3
InChIKeyFAYNDWNNVIZWFZ-UHFFFAOYSA-N
XLogP4.54
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylmethoxypyridin-2-one
CID 90292347
1-[5-methyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;dihydrochloride
CID 68657490
1-[5-methyl-2-(trifluoromethoxymethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one
CID 90292390
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one
CID 90201232
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride
CID 90201231
ethane;1-[5-methyl-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl]-4-phenylmethoxypyridin-2-one
CID 143833711
7-[4-[(5-fluoro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylic acid
CID 90198981
1-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-4-phenylmethoxypyridin-2-one
CID 129143878
tert-butyl 7-[2-oxo-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1-pyridinyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxylate
CID 86721534
4-phenylmethoxy-1-(2,3,4,5-tetrahydro-1H-[1]benzothiolo[2,3-d]azepin-8-yl)pyridin-2-one
CID 76901669
1,1,9-trimethyl-7-(2-oxo-4-phenylmethoxy-1-pyridinyl)-3,4-dihydropyrido[3,4-b]indole-2-carboxylic acid
CID 68658147
1-(2-ethenyl-1,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-phenylmethoxypyridin-2-one
CID 90361198

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one (CID 90198810) is 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one is CCN1CCc2oc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc3c2C1.
What is the InChIKey of 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one?
The InChIKey is FAYNDWNNVIZWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-2-26-12-11-23-22(16-26)21-9-8-19(14-24(21)30-23)27-13-10-20(15-25(27)28)29-17-18-6-4-3-5-7-18/h3-10,13-15H,2,11-12,16-17H2,1H3.
What are the key properties of 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one?
1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one has a molecular weight of 400.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 90198810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).