1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone

C18H16N2O3 — CID 2462898

IUPAC1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1ncnc2ccccc12
InChIInChI=1S/C18H16N2O3/c1-12(21)13-7-8-17(22-2)14(9-13)10-23-18-15-5-3-4-6-16(15)19-11-20-18/h3-9,11H,10H2,1-2H3
InChIKeyBDCNFPUZUMDOSJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.42
Rot. Bonds5

About 1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone

1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone (PubChem CID 2462898) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone
PubChem CID2462898
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1ncnc2ccccc12
InChIInChI=1S/C18H16N2O3/c1-12(21)13-7-8-17(22-2)14(9-13)10-23-18-15-5-3-4-6-16(15)19-11-20-18/h3-9,11H,10H2,1-2H3
InChIKeyBDCNFPUZUMDOSJ-UHFFFAOYSA-N
XLogP3.42
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone (CID 2462898) is 1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone is COc1ccc(C(C)=O)cc1COc1ncnc2ccccc12.
What is the InChIKey of 1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone?
The InChIKey is BDCNFPUZUMDOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(21)13-7-8-17(22-2)14(9-13)10-23-18-15-5-3-4-6-16(15)19-11-20-18/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone?
1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone has a molecular weight of 308.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(quinazolin-4-yloxymethyl)phenyl]ethanone is sourced from PubChem (CID 2462898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).