2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone

C16H17Cl2N3O2 — CID 2438026

IUPAC2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)CC1
InChIInChI=1S/C16H17Cl2N3O2/c1-10-2-4-21(5-3-10)14(22)8-23-16-12-6-11(17)7-13(18)15(12)19-9-20-16/h6-7,9-10H,2-5,8H2,1H3
InChIKeyMSCFIKNNOOAJRW-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.57
Rot. Bonds3

About 2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone

2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 2438026) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID2438026
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)CC1
InChIInChI=1S/C16H17Cl2N3O2/c1-10-2-4-21(5-3-10)14(22)8-23-16-12-6-11(17)7-13(18)15(12)19-9-20-16/h6-7,9-10H,2-5,8H2,1H3
InChIKeyMSCFIKNNOOAJRW-UHFFFAOYSA-N
XLogP3.57
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 2448568
2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 883850
2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 60594267
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 98785322
2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 21173488
2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
CID 126420962
1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 4164452
2-(2-bromo-4,6-dichlorophenoxy)-1-[4-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]piperazin-1-yl]ethanone
CID 17096623
2-(6,8-dichloroquinazolin-4-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 2704087
6-chloro-4-methyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
CID 7954018
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(6,8-dichloroquinazolin-4-yl)oxyethanone
CID 4568565

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone (CID 2438026) is 2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)CC1.
What is the InChIKey of 2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is MSCFIKNNOOAJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-10-2-4-21(5-3-10)14(22)8-23-16-12-6-11(17)7-13(18)15(12)19-9-20-16/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 354.24 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloroquinazolin-4-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 2438026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).