4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one

C19H15NO4 — CID 118156079

IUPAC4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one
SMILESCOc1ccc(OC)c(-c2cc(=O)[nH]c3c2oc2ccccc23)c1
InChIInChI=1S/C19H15NO4/c1-22-11-7-8-15(23-2)13(9-11)14-10-17(21)20-18-12-5-3-4-6-16(12)24-19(14)18/h3-10H,1-2H3,(H,20,21)
InChIKeyNYQXEWOUHABABL-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.96
Rot. Bonds3

About 4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one

4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one (PubChem CID 118156079) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one
PubChem CID118156079
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one
SMILESCOc1ccc(OC)c(-c2cc(=O)[nH]c3c2oc2ccccc23)c1
InChIInChI=1S/C19H15NO4/c1-22-11-7-8-15(23-2)13(9-11)14-10-17(21)20-18-12-5-3-4-6-16(12)24-19(14)18/h3-10H,1-2H3,(H,20,21)
InChIKeyNYQXEWOUHABABL-UHFFFAOYSA-N
XLogP3.96
TPSA64.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-(2-fluorophenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one
CID 144861965
1-chloro-4-methoxy-10H-[1]benzofuro[3,2-b]indole
CID 166048938
2-(2,5-dimethoxyphenyl)-7-methoxycyclohepta-2,4,6-trien-1-one
CID 617857
2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
3-(2,5-dimethoxyphenyl)-4-methylchromen-2-one;methyl(phenyl)carbamic acid
CID 158615585
10-(2,5-dimethoxyphenyl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
CID 71707173
3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one
CID 11716262
3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 2150405
8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one
CID 118101187
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
2-(2-amino-5-methoxyphenyl)chromen-4-one
CID 155414539
2-(2-hydroxy-5-methoxyphenyl)-1,3-benzoxazin-4-one
CID 135763141

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one (CID 118156079) is 4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one is COc1ccc(OC)c(-c2cc(=O)[nH]c3c2oc2ccccc23)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one?
The InChIKey is NYQXEWOUHABABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-22-11-7-8-15(23-2)13(9-11)14-10-17(21)20-18-12-5-3-4-6-16(12)24-19(14)18/h3-10H,1-2H3,(H,20,21).
What are the key properties of 4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one?
4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one has a molecular weight of 321.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one is sourced from PubChem (CID 118156079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).