2-(dimethoxymethyl)-3H-quinazolin-4-one

C11H12N2O3 — CID 135453675

IUPAC2-(dimethoxymethyl)-3H-quinazolin-4-one
SMILESCOC(OC)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H12N2O3/c1-15-11(16-2)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6,11H,1-2H3,(H,12,13,14)
InChIKeyDHYBRTPMJKSWII-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.21
Rot. Bonds3

About 2-(dimethoxymethyl)-3H-quinazolin-4-one

2-(dimethoxymethyl)-3H-quinazolin-4-one (PubChem CID 135453675) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(dimethoxymethyl)-3H-quinazolin-4-one
PubChem CID135453675
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(dimethoxymethyl)-3H-quinazolin-4-one
SMILESCOC(OC)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H12N2O3/c1-15-11(16-2)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6,11H,1-2H3,(H,12,13,14)
InChIKeyDHYBRTPMJKSWII-UHFFFAOYSA-N
XLogP1.21
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1,3-dihydroxypropyl]-3H-quinazolin-4-one
CID 135404229
2-[(1R)-1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135767552
2-[(1R)-1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135767554
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
CID 137132952
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(1R)-1-phenylethyl]azanium
CID 135612855
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(1S)-1-phenylethyl]azanium
CID 135612853
2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one
CID 175537868
2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one
CID 137154926
2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
CID 136877593
[(R)-(4-methoxyphenyl)-phenylmethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135677079
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(dimethoxymethyl)-3H-quinazolin-4-one (CID 135453675) is 2-(dimethoxymethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(dimethoxymethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(dimethoxymethyl)-3H-quinazolin-4-one is COC(OC)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(dimethoxymethyl)-3H-quinazolin-4-one?
The InChIKey is DHYBRTPMJKSWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-15-11(16-2)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6,11H,1-2H3,(H,12,13,14).
What are the key properties of 2-(dimethoxymethyl)-3H-quinazolin-4-one?
2-(dimethoxymethyl)-3H-quinazolin-4-one has a molecular weight of 220.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135453675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).