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

C16H14N2O2 — CID 15497841

IUPAC1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
SMILESCOc1ccc(Cn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-20-13-8-6-12(7-9-13)11-18-15-5-3-2-4-14(15)17-10-16(18)19/h2-10H,11H2,1H3
InChIKeyXKJNNAHTBHNMRH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.45
Rot. Bonds3

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

1-[(4-methoxyphenyl)methyl]quinoxalin-2-one (PubChem CID 15497841) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
PubChem CID15497841
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
SMILESCOc1ccc(Cn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-20-13-8-6-12(7-9-13)11-18-15-5-3-2-4-14(15)17-10-16(18)19/h2-10H,11H2,1H3
InChIKeyXKJNNAHTBHNMRH-UHFFFAOYSA-N
XLogP2.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)methyl]quinoxalin-2-one
CID 9353521
7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one
CID 67993011
1-(naphthalen-1-ylmethyl)quinoxalin-2-one
CID 9369622
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617041
2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 16997463
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
1-(fluoromethyl)quinoxalin-2-one
CID 140968709
1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161888
4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002259
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006058
1-(methylsulfanylmethyl)quinoxalin-2-one
CID 56689697

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]quinoxalin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]quinoxalin-2-one (CID 15497841) is 1-[(4-methoxyphenyl)methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]quinoxalin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]quinoxalin-2-one is COc1ccc(Cn2c(=O)cnc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]quinoxalin-2-one?
The InChIKey is XKJNNAHTBHNMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-13-8-6-12(7-9-13)11-18-15-5-3-2-4-14(15)17-10-16(18)19/h2-10H,11H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]quinoxalin-2-one?
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]quinoxalin-2-one is sourced from PubChem (CID 15497841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).