6,7-dimethoxy-3H-quinazolin-4-one;formamide

C11H13N3O4 — CID 158241473

IUPAC6,7-dimethoxy-3H-quinazolin-4-one;formamide
SMILESCOc1cc2nc[nH]c(=O)c2cc1OC.NC=O
InChIInChI=1S/C10H10N2O3.CH3NO/c1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13;2-1-3/h3-5H,1-2H3,(H,11,12,13);1H,(H2,2,3)
InChIKeyGFOZSNLCHNXDDF-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.04
Rot. Bonds2

About 6,7-dimethoxy-3H-quinazolin-4-one;formamide

6,7-dimethoxy-3H-quinazolin-4-one;formamide (PubChem CID 158241473) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 6,7-dimethoxy-3H-quinazolin-4-one;formamide.

Molecular Properties

Compound Name6,7-dimethoxy-3H-quinazolin-4-one;formamide
PubChem CID158241473
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name6,7-dimethoxy-3H-quinazolin-4-one;formamide
SMILESCOc1cc2nc[nH]c(=O)c2cc1OC.NC=O
InChIInChI=1S/C10H10N2O3.CH3NO/c1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13;2-1-3/h3-5H,1-2H3,(H,11,12,13);1H,(H2,2,3)
InChIKeyGFOZSNLCHNXDDF-UHFFFAOYSA-N
XLogP0.04
TPSA107.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135589778
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
CID 135742285
6-methoxy-7-(2-methylsulfanylethoxy)-3H-quinazolin-4-one;hydrochloride
CID 135549386
6-acetyl-7-methoxy-3H-quinazolin-4-one
CID 137176609
6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one
CID 135442261
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one;ethane
CID 143274794
7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135490844
7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one
CID 135496860
7-[(2S,3S,4S,5R)-6-fluoro-1,3,4,5,6-pentahydroxyhexan-2-yl]oxy-6-methoxy-3H-quinazolin-4-one
CID 140867589
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
6-ethoxy-7-fluoro-3H-quinazolin-4-one
CID 136677481

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3H-quinazolin-4-one;formamide?
The IUPAC name of 6,7-dimethoxy-3H-quinazolin-4-one;formamide (CID 158241473) is 6,7-dimethoxy-3H-quinazolin-4-one;formamide.
What is the SMILES notation for 6,7-dimethoxy-3H-quinazolin-4-one;formamide?
The canonical SMILES for 6,7-dimethoxy-3H-quinazolin-4-one;formamide is COc1cc2nc[nH]c(=O)c2cc1OC.NC=O.
What is the InChIKey of 6,7-dimethoxy-3H-quinazolin-4-one;formamide?
The InChIKey is GFOZSNLCHNXDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3.CH3NO/c1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13;2-1-3/h3-5H,1-2H3,(H,11,12,13);1H,(H2,2,3).
What are the key properties of 6,7-dimethoxy-3H-quinazolin-4-one;formamide?
6,7-dimethoxy-3H-quinazolin-4-one;formamide has a molecular weight of 251.24 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3H-quinazolin-4-one;formamide is sourced from PubChem (CID 158241473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).