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

C16H14N2O2 — CID 9269643

IUPAC3-[(4-methoxyphenyl)methyl]-1H-quinoxalin-2-one
SMILESCOc1ccc(Cc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)10-15-16(19)18-14-5-3-2-4-13(14)17-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyANUXIOICRZDZGI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.52
Rot. Bonds3

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

3-[(4-methoxyphenyl)methyl]-1H-quinoxalin-2-one (PubChem CID 9269643) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1H-quinoxalin-2-one
PubChem CID9269643
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-[(4-methoxyphenyl)methyl]-1H-quinoxalin-2-one
SMILESCOc1ccc(Cc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)10-15-16(19)18-14-5-3-2-4-13(14)17-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyANUXIOICRZDZGI-UHFFFAOYSA-N
XLogP2.52
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Caroverine
CID 65709
N-(2-Aminophenyl)-4-methoxybenzamide
CID 785232
4-(4-methoxyphenyl)-1H-quinolin-2-one
CID 672272
1H-Pyrrole-2,5-dione, 3-(4-methoxyphenyl)-4-(phenylamino)-
CID 6539456
N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 17095630
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1034712
N-(4-methoxyphenyl)-2-phenylacetamide
CID 531989
Caroverine Hydrochloride
CID 3043582
N-(4-amino-4''-methoxybiphenyl-3-yl)benzamide
CID 46887379
3-(4-Ethoxyphenyl)-1-hydroxy-4-oxidoquinoxalin-4-ium-2-one
CID 948254
1-hydroxy-3-(4-propoxyphenyl)-2(1H)-quinoxalinone 4-oxide
CID 2987853
3-[(E)-2-(2-ethoxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 5769823

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1H-quinoxalin-2-one (CID 9269643) is 3-[(4-methoxyphenyl)methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1H-quinoxalin-2-one is COc1ccc(Cc2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1H-quinoxalin-2-one?
The InChIKey is ANUXIOICRZDZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)10-15-16(19)18-14-5-3-2-4-13(14)17-15/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1H-quinoxalin-2-one?
3-[(4-methoxyphenyl)methyl]-1H-quinoxalin-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 9269643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).