3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one

C18H18N6O4 — CID 159397160

IUPAC3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one
SMILESCOc1cccc2[nH]c(=O)c(N)nc12.COc1cccc2nc(N)c(=O)[nH]c12
InChIInChI=1S/2C9H9N3O2/c1-14-6-4-2-3-5-7(6)12-8(10)9(13)11-5;1-14-6-4-2-3-5-7(6)12-9(13)8(10)11-5/h2-4H,1H3,(H2,10,12)(H,11,13);2-4H,1H3,(H2,10,11)(H,12,13)
InChIKeyLMWJQFWXJVUEIV-UHFFFAOYSA-N
MW382.38 g/mol
LogP1.03
Rot. Bonds2

About 3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one

3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one (PubChem CID 159397160) has the molecular formula C18H18N6O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is 3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one
PubChem CID159397160
Molecular FormulaC18H18N6O4
Molecular Weight382.38 g/mol
Exact Mass382.14
IUPAC Name3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one
SMILESCOc1cccc2[nH]c(=O)c(N)nc12.COc1cccc2nc(N)c(=O)[nH]c12
InChIInChI=1S/2C9H9N3O2/c1-14-6-4-2-3-5-7(6)12-8(10)9(13)11-5;1-14-6-4-2-3-5-7(6)12-9(13)8(10)11-5/h2-4H,1H3,(H2,10,12)(H,11,13);2-4H,1H3,(H2,10,11)(H,12,13)
InChIKeyLMWJQFWXJVUEIV-UHFFFAOYSA-N
XLogP1.03
TPSA162.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-methoxy-1H-benzimidazol-2-yl)ethanone
CID 18316612
4-amino-8-methoxy-1H-quinazolin-2-one
CID 25152155
8-methoxy-1H-quinoxalin-2-one
CID 16748338
4-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 84618412
4-methoxy-1H-benzimidazole-2-carbonitrile
CID 119084277
1-(4-methoxy-1H-benzimidazol-2-yl)ethanethiol
CID 166986048
4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 152771788
4-[(4-methoxy-1H-benzimidazol-2-yl)amino]phenol
CID 143998312
2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium)
CID 160583384
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one
CID 146170256
2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
CID 139695649

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one?
The IUPAC name of 3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one (CID 159397160) is 3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one is COc1cccc2[nH]c(=O)c(N)nc12.COc1cccc2nc(N)c(=O)[nH]c12.
What is the InChIKey of 3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one?
The InChIKey is LMWJQFWXJVUEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H9N3O2/c1-14-6-4-2-3-5-7(6)12-8(10)9(13)11-5;1-14-6-4-2-3-5-7(6)12-9(13)8(10)11-5/h2-4H,1H3,(H2,10,12)(H,11,13);2-4H,1H3,(H2,10,11)(H,12,13).
What are the key properties of 3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one?
3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one has a molecular weight of 382.38 g/mol, XLogP of 1.03, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one is sourced from PubChem (CID 159397160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).