6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one

C14H18N2O5 — CID 135742285

IUPAC6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
SMILESCOCCOCCOc1cc2nc[nH]c(=O)c2cc1OC
InChIInChI=1S/C14H18N2O5/c1-18-3-4-20-5-6-21-13-8-11-10(7-12(13)19-2)14(17)16-9-15-11/h7-9H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyMQOLERVZUCJLTG-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.97
Rot. Bonds8

About 6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one

6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one (PubChem CID 135742285) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
PubChem CID135742285
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
SMILESCOCCOCCOc1cc2nc[nH]c(=O)c2cc1OC
InChIInChI=1S/C14H18N2O5/c1-18-3-4-20-5-6-21-13-8-11-10(7-12(13)19-2)14(17)16-9-15-11/h7-9H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyMQOLERVZUCJLTG-UHFFFAOYSA-N
XLogP0.97
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one;ethane
CID 143274794
7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135589778
6-methoxy-7-(2-methylsulfanylethoxy)-3H-quinazolin-4-one;hydrochloride
CID 135549386
6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one
CID 135442261
6,7-dimethoxy-3H-quinazolin-4-one;formamide
CID 158241473
7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135490844
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one
CID 135496860
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
6-acetyl-7-methoxy-3H-quinazolin-4-one
CID 137176609
ethyl 7-[[4-oxo-7-(trideuteriomethoxy)-3H-quinazolin-6-yl]oxy]heptanoate
CID 136597375
7-[(2S,3S,4S,5R)-6-fluoro-1,3,4,5,6-pentahydroxyhexan-2-yl]oxy-6-methoxy-3H-quinazolin-4-one
CID 140867589

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one?
The IUPAC name of 6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one (CID 135742285) is 6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one.
What is the SMILES notation for 6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one?
The canonical SMILES for 6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one is COCCOCCOc1cc2nc[nH]c(=O)c2cc1OC.
What is the InChIKey of 6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one?
The InChIKey is MQOLERVZUCJLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-18-3-4-20-5-6-21-13-8-11-10(7-12(13)19-2)14(17)16-9-15-11/h7-9H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one?
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one has a molecular weight of 294.31 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one is sourced from PubChem (CID 135742285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).