2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium)

C20H20N6O5V2 — CID 160583384

IUPAC2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium)
SMILESCOc1cccc2nc(N)[nH]c(=O)c12.COc1cccc2nc(NC(C)=O)[nH]c(=O)c12.[V].[V]
InChIInChI=1S/C11H11N3O3.C9H9N3O2.2V/c1-6(15)12-11-13-7-4-3-5-8(17-2)9(7)10(16)14-11;1-14-6-4-2-3-5-7(6)8(13)12-9(10)11-5;;/h3-5H,1-2H3,(H2,12,13,14,15,16);2-4H,1H3,(H3,10,11,12,13);;
InChIKeyLOBVPRAQLNBABL-UHFFFAOYSA-N
MW526.31 g/mol
LogP1.40
Rot. Bonds3

About 2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium)

2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium) (PubChem CID 160583384) has the molecular formula C20H20N6O5V2 and a molecular weight of 526.31 g/mol. Its IUPAC name is 2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium).

Molecular Properties

Compound Name2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium)
PubChem CID160583384
Molecular FormulaC20H20N6O5V2
Molecular Weight526.31 g/mol
Exact Mass526.04
IUPAC Name2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium)
SMILESCOc1cccc2nc(N)[nH]c(=O)c12.COc1cccc2nc(NC(C)=O)[nH]c(=O)c12.[V].[V]
InChIInChI=1S/C11H11N3O3.C9H9N3O2.2V/c1-6(15)12-11-13-7-4-3-5-8(17-2)9(7)10(16)14-11;1-14-6-4-2-3-5-7(6)8(13)12-9(10)11-5;;/h3-5H,1-2H3,(H2,12,13,14,15,16);2-4H,1H3,(H3,10,11,12,13);;
InChIKeyLOBVPRAQLNBABL-UHFFFAOYSA-N
XLogP1.40
TPSA165.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.31
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide
CID 136608254
ethyl 2-(5-methoxy-4-oxo-3H-quinazolin-2-yl)-3-oxobutanoate
CID 138573190
N-(4-chloro-5-methoxyquinazolin-2-yl)acetamide
CID 89215875
4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
CID 54588453
2-amino-6-bromo-5-methoxy-3H-quinazolin-4-one;trihydrate
CID 137314152
3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one
CID 159397160
2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 135480627
5-methoxy-3H-quinazolin-4-one;hydrochloride
CID 136504101
5-amino-2-methyl-3H-quinazolin-4-one
CID 135573275
N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide
CID 135742304
methyl 4-[[(2-amino-5-chloro-4-oxo-3H-quinazolin-6-yl)amino]methyl]benzoate
CID 135516843
acetic acid;1-methoxyphenazine
CID 174937212

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium)?
The IUPAC name of 2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium) (CID 160583384) is 2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium).
What is the SMILES notation for 2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium)?
The canonical SMILES for 2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium) is COc1cccc2nc(N)[nH]c(=O)c12.COc1cccc2nc(NC(C)=O)[nH]c(=O)c12.[V].[V].
What is the InChIKey of 2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium)?
The InChIKey is LOBVPRAQLNBABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3.C9H9N3O2.2V/c1-6(15)12-11-13-7-4-3-5-8(17-2)9(7)10(16)14-11;1-14-6-4-2-3-5-7(6)8(13)12-9(10)11-5;;/h3-5H,1-2H3,(H2,12,13,14,15,16);2-4H,1H3,(H3,10,11,12,13);;.
What are the key properties of 2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium)?
2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium) has a molecular weight of 526.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium) is sourced from PubChem (CID 160583384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).