7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one

C14H14N4O3 — CID 135490844

IUPAC7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]cnc2cc1OCCn1ccnc1
InChIInChI=1S/C14H14N4O3/c1-20-12-6-10-11(16-8-17-14(10)19)7-13(12)21-5-4-18-3-2-15-9-18/h2-3,6-9H,4-5H2,1H3,(H,16,17,19)
InChIKeyVBSOYTWFTRZNLU-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.21
Rot. Bonds5

About 7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one

7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one (PubChem CID 135490844) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one
PubChem CID135490844
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]cnc2cc1OCCn1ccnc1
InChIInChI=1S/C14H14N4O3/c1-20-12-6-10-11(16-8-17-14(10)19)7-13(12)21-5-4-18-3-2-15-9-18/h2-3,6-9H,4-5H2,1H3,(H,16,17,19)
InChIKeyVBSOYTWFTRZNLU-UHFFFAOYSA-N
XLogP1.21
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one with MolForge

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Related Compounds

6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one
CID 135442261
7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135589778
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-3H-quinazolin-4-one
CID 135742285
7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one
CID 135496860
6-methoxy-7-(2-methylsulfanylethoxy)-3H-quinazolin-4-one;hydrochloride
CID 135549386
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
6,7-dimethoxy-3H-quinazolin-4-one;formamide
CID 158241473
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
CID 70245548
[3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride
CID 139836434
7-[3-imidazol-1-ylpropyl(methyl)amino]-6-nitro-3H-quinazolin-4-one
CID 137248377
[4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol
CID 43311703

Frequently Asked Questions

What is the IUPAC name of 7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one?
The IUPAC name of 7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one (CID 135490844) is 7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one is COc1cc2c(=O)[nH]cnc2cc1OCCn1ccnc1.
What is the InChIKey of 7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one?
The InChIKey is VBSOYTWFTRZNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-20-12-6-10-11(16-8-17-14(10)19)7-13(12)21-5-4-18-3-2-15-9-18/h2-3,6-9H,4-5H2,1H3,(H,16,17,19).
What are the key properties of 7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one?
7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one has a molecular weight of 286.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135490844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).