3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one

C16H16N2O4 — CID 70055125

IUPAC3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one
SMILESCOc1ccc(CN2C(=O)C(O)N(O)c3ccccc32)cc1
InChIInChI=1S/C16H16N2O4/c1-22-12-8-6-11(7-9-12)10-17-13-4-2-3-5-14(13)18(21)16(20)15(17)19/h2-9,16,20-21H,10H2,1H3
InChIKeyIRIDWMNWLFRYMM-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.76
Rot. Bonds3

About 3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one

3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one (PubChem CID 70055125) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one
PubChem CID70055125
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one
SMILESCOc1ccc(CN2C(=O)C(O)N(O)c3ccccc32)cc1
InChIInChI=1S/C16H16N2O4/c1-22-12-8-6-11(7-9-12)10-17-13-4-2-3-5-14(13)18(21)16(20)15(17)19/h2-9,16,20-21H,10H2,1H3
InChIKeyIRIDWMNWLFRYMM-UHFFFAOYSA-N
XLogP1.76
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one
CID 71728903
4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431724
(7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one
CID 69040290
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
3-amino-1-[(4-methoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one;ethane
CID 143109459
(1R,2S,6S,7R)-4-[(4-methoxyphenyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98094774
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3345025
3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
CID 155195092
tert-butyl N-[(3S)-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
CID 22868936
5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 73321398
(2S)-2-[[5-[(4-methoxyphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-3-phenylpropanoic acid
CID 67714195
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one?
The IUPAC name of 3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one (CID 70055125) is 3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one.
What is the SMILES notation for 3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one?
The canonical SMILES for 3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one is COc1ccc(CN2C(=O)C(O)N(O)c3ccccc32)cc1.
What is the InChIKey of 3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one?
The InChIKey is IRIDWMNWLFRYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-12-8-6-11(7-9-12)10-17-13-4-2-3-5-14(13)18(21)16(20)15(17)19/h2-9,16,20-21H,10H2,1H3.
What are the key properties of 3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one?
3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one has a molecular weight of 300.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-1-[(4-methoxyphenyl)methyl]-3H-quinoxalin-2-one is sourced from PubChem (CID 70055125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).