7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one

C16H18N4O2 — CID 164609773

IUPAC7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN2c1nc(C)nc(C)c1C
InChIInChI=1S/C16H18N4O2/c1-9-10(2)17-11(3)18-16(9)20-8-15(21)19-13-7-12(22-4)5-6-14(13)20/h5-7H,8H2,1-4H3,(H,19,21)
InChIKeyTVADZHBJXPXBRQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.50
Rot. Bonds2

About 7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one

7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one (PubChem CID 164609773) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
PubChem CID164609773
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN2c1nc(C)nc(C)c1C
InChIInChI=1S/C16H18N4O2/c1-9-10(2)17-11(3)18-16(9)20-8-15(21)19-13-7-12(22-4)5-6-14(13)20/h5-7H,8H2,1-4H3,(H,19,21)
InChIKeyTVADZHBJXPXBRQ-UHFFFAOYSA-N
XLogP2.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one (CID 164609773) is 7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one is COc1ccc2c(c1)NC(=O)CN2c1nc(C)nc(C)c1C.
What is the InChIKey of 7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is TVADZHBJXPXBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-9-10(2)17-11(3)18-16(9)20-8-15(21)19-13-7-12(22-4)5-6-14(13)20/h5-7H,8H2,1-4H3,(H,19,21).
What are the key properties of 7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 298.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 164609773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).