1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone

C18H16N2O2 — CID 2087443

IUPAC1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone
SMILESCc1ccc(C)c(C(=O)COc2ncnc3ccccc23)c1
InChIInChI=1S/C18H16N2O2/c1-12-7-8-13(2)15(9-12)17(21)10-22-18-14-5-3-4-6-16(14)19-11-20-18/h3-9,11H,10H2,1-2H3
InChIKeyFHLOXOXXJUUELR-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.51
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone

1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone (PubChem CID 2087443) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone
PubChem CID2087443
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone
SMILESCc1ccc(C)c(C(=O)COc2ncnc3ccccc23)c1
InChIInChI=1S/C18H16N2O2/c1-12-7-8-13(2)15(9-12)17(21)10-22-18-14-5-3-4-6-16(14)19-11-20-18/h3-9,11H,10H2,1-2H3
InChIKeyFHLOXOXXJUUELR-UHFFFAOYSA-N
XLogP3.51
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone (CID 2087443) is 1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone is Cc1ccc(C)c(C(=O)COc2ncnc3ccccc23)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone?
The InChIKey is FHLOXOXXJUUELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-7-8-13(2)15(9-12)17(21)10-22-18-14-5-3-4-6-16(14)19-11-20-18/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone?
1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone has a molecular weight of 292.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 2087443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).