1-(naphthalen-1-ylmethyl)quinoxalin-2-one

C19H14N2O — CID 9369622

IUPAC1-(naphthalen-1-ylmethyl)quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C19H14N2O/c22-19-12-20-17-10-3-4-11-18(17)21(19)13-15-8-5-7-14-6-1-2-9-16(14)15/h1-12H,13H2
InChIKeyRXXWDVRCWMFHPF-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.60
Rot. Bonds2

About 1-(naphthalen-1-ylmethyl)quinoxalin-2-one

1-(naphthalen-1-ylmethyl)quinoxalin-2-one (PubChem CID 9369622) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)quinoxalin-2-one
PubChem CID9369622
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name1-(naphthalen-1-ylmethyl)quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C19H14N2O/c22-19-12-20-17-10-3-4-11-18(17)21(19)13-15-8-5-7-14-6-1-2-9-16(14)15/h1-12H,13H2
InChIKeyRXXWDVRCWMFHPF-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-amino-2-methylphenyl)methyl]quinoxalin-2-one
CID 43509212
1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one
CID 62893313
1-[(1,5-dimethylpyrazol-4-yl)methyl]quinoxalin-2-one
CID 72923084
1-(fluoromethyl)quinoxalin-2-one
CID 140968709
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18811357
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one
CID 64765379
2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18878804
1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one
CID 43349699
1-(methylsulfanylmethyl)quinoxalin-2-one
CID 56689697
5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid
CID 80724661
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]quinoxalin-2-one
CID 43320514

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)quinoxalin-2-one?
The IUPAC name of 1-(naphthalen-1-ylmethyl)quinoxalin-2-one (CID 9369622) is 1-(naphthalen-1-ylmethyl)quinoxalin-2-one.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)quinoxalin-2-one?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)quinoxalin-2-one is O=c1cnc2ccccc2n1Cc1cccc2ccccc12.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)quinoxalin-2-one?
The InChIKey is RXXWDVRCWMFHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c22-19-12-20-17-10-3-4-11-18(17)21(19)13-15-8-5-7-14-6-1-2-9-16(14)15/h1-12H,13H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)quinoxalin-2-one?
1-(naphthalen-1-ylmethyl)quinoxalin-2-one has a molecular weight of 286.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)quinoxalin-2-one is sourced from PubChem (CID 9369622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).