3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one

C15H18N2O2 — CID 97196072

IUPAC3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one
SMILESCc1nc2ccccc2n(C[C@H]2CCCCO2)c1=O
InChIInChI=1S/C15H18N2O2/c1-11-15(18)17(10-12-6-4-5-9-19-12)14-8-3-2-7-13(14)16-11/h2-3,7-8,12H,4-6,9-10H2,1H3/t12-/m1/s1
InChIKeyORNUQLZHUNTYTP-GFCCVEGCSA-N
MW258.32 g/mol
LogP2.27
Rot. Bonds2

About 3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one

3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one (PubChem CID 97196072) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one
PubChem CID97196072
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one
SMILESCc1nc2ccccc2n(C[C@H]2CCCCO2)c1=O
InChIInChI=1S/C15H18N2O2/c1-11-15(18)17(10-12-6-4-5-9-19-12)14-8-3-2-7-13(14)16-11/h2-3,7-8,12H,4-6,9-10H2,1H3/t12-/m1/s1
InChIKeyORNUQLZHUNTYTP-GFCCVEGCSA-N
XLogP2.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one
CID 94181113
2-methylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 154760702
2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
CID 43149486
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
1-[2-(2-aminocyclopentyl)ethyl]-3-methylquinoxalin-2-one
CID 79572176
2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole
CID 100659308
1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one
CID 63915051
3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine
CID 50877230
2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
CID 79762204
2-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]ethanethioamide
CID 55244932
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one?
The IUPAC name of 3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one (CID 97196072) is 3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one.
What is the SMILES notation for 3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one?
The canonical SMILES for 3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one is Cc1nc2ccccc2n(C[C@H]2CCCCO2)c1=O.
What is the InChIKey of 3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one?
The InChIKey is ORNUQLZHUNTYTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-15(18)17(10-12-6-4-5-9-19-12)14-8-3-2-7-13(14)16-11/h2-3,7-8,12H,4-6,9-10H2,1H3/t12-/m1/s1.
What are the key properties of 3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one?
3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one is sourced from PubChem (CID 97196072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).