4-amino-8-methoxy-1H-quinazolin-2-one

C9H9N3O2 — CID 25152155

IUPAC4-amino-8-methoxy-1H-quinazolin-2-one
SMILESCOc1cccc2c(N)nc(=O)[nH]c12
InChIInChI=1S/C9H9N3O2/c1-14-6-4-2-3-5-7(6)11-9(13)12-8(5)10/h2-4H,1H3,(H3,10,11,12,13)
InChIKeyVGXAUFFXRFKHNB-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.51
Rot. Bonds1

About 4-amino-8-methoxy-1H-quinazolin-2-one

4-amino-8-methoxy-1H-quinazolin-2-one (PubChem CID 25152155) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-amino-8-methoxy-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-amino-8-methoxy-1H-quinazolin-2-one
PubChem CID25152155
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name4-amino-8-methoxy-1H-quinazolin-2-one
SMILESCOc1cccc2c(N)nc(=O)[nH]c12
InChIInChI=1S/C9H9N3O2/c1-14-6-4-2-3-5-7(6)11-9(13)12-8(5)10/h2-4H,1H3,(H3,10,11,12,13)
InChIKeyVGXAUFFXRFKHNB-UHFFFAOYSA-N
XLogP0.51
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-1H-quinazolin-2-one
CID 53438636
4-(1-aminocyclopropyl)-8-methoxy-3H-quinazolin-2-one
CID 105489297
4-(methoxyamino)-1-[(8-methoxy-2-oxo-1H-quinazolin-4-yl)amino]quinazolin-2-one
CID 134386437
3-amino-8-methoxy-1H-quinolin-4-one
CID 115018054
4-amino-5-methoxy-10H-acridine-9-thione
CID 101038754
3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one
CID 159397160
4-tert-butyl-5-methoxy-10H-acridin-9-one
CID 130376866
2-tert-butyl-8-methoxy-1H-quinolin-4-one
CID 10799531
4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 152771788
8-methoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667995
2-(dimethylamino)-8-methoxy-3H-quinazolin-4-one
CID 136981745
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-methoxy-1H-quinazolin-2-one?
The IUPAC name of 4-amino-8-methoxy-1H-quinazolin-2-one (CID 25152155) is 4-amino-8-methoxy-1H-quinazolin-2-one.
What is the SMILES notation for 4-amino-8-methoxy-1H-quinazolin-2-one?
The canonical SMILES for 4-amino-8-methoxy-1H-quinazolin-2-one is COc1cccc2c(N)nc(=O)[nH]c12.
What is the InChIKey of 4-amino-8-methoxy-1H-quinazolin-2-one?
The InChIKey is VGXAUFFXRFKHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-6-4-2-3-5-7(6)11-9(13)12-8(5)10/h2-4H,1H3,(H3,10,11,12,13).
What are the key properties of 4-amino-8-methoxy-1H-quinazolin-2-one?
4-amino-8-methoxy-1H-quinazolin-2-one has a molecular weight of 191.19 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-methoxy-1H-quinazolin-2-one is sourced from PubChem (CID 25152155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).