methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate

C17H12Cl2N2O3 — CID 2426065

IUPACmethyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COc2ncnc3c(Cl)cc(Cl)cc23)cc1
InChIInChI=1S/C17H12Cl2N2O3/c1-23-17(22)11-4-2-10(3-5-11)8-24-16-13-6-12(18)7-14(19)15(13)20-9-21-16/h2-7,9H,8H2,1H3
InChIKeyYMRHTDVGUCGHFK-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.30
Rot. Bonds4

About methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate

methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate (PubChem CID 2426065) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate
PubChem CID2426065
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Namemethyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COc2ncnc3c(Cl)cc(Cl)cc23)cc1
InChIInChI=1S/C17H12Cl2N2O3/c1-23-17(22)11-4-2-10(3-5-11)8-24-16-13-6-12(18)7-14(19)15(13)20-9-21-16/h2-7,9H,8H2,1H3
InChIKeyYMRHTDVGUCGHFK-UHFFFAOYSA-N
XLogP4.30
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 4262025
2-(6,8-dichloroquinazolin-4-yl)oxy-N-ethylacetamide
CID 2415100
2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 2448568
N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 4641621
methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626
2-(6,8-dichloroquinazolin-4-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 2704087
N-(tert-butylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 2704065
2-(6,8-dichloroquinazolin-4-yl)oxy-N-(4-ethoxyphenyl)acetamide
CID 4310600
methyl 4-[(6-chloro-2-pyridinyl)oxymethyl]benzoate
CID 156540912
2-(6,8-dichloroquinazolin-4-yl)oxy-N-naphthalen-2-ylacetamide
CID 4005082
methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate
CID 2694891
2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile
CID 2601493

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate?
The IUPAC name of methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate (CID 2426065) is methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate?
The canonical SMILES for methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate is COC(=O)c1ccc(COc2ncnc3c(Cl)cc(Cl)cc23)cc1.
What is the InChIKey of methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate?
The InChIKey is YMRHTDVGUCGHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-23-17(22)11-4-2-10(3-5-11)8-24-16-13-6-12(18)7-14(19)15(13)20-9-21-16/h2-7,9H,8H2,1H3.
What are the key properties of methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate?
methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate has a molecular weight of 363.20 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6,8-dichloroquinazolin-4-yl)oxymethyl]benzoate is sourced from PubChem (CID 2426065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).