1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone

C17H21N3O2 — CID 4164452

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
SMILESCC1CC(C)CN(C(=O)COc2ncnc3ccccc23)C1
InChIInChI=1S/C17H21N3O2/c1-12-7-13(2)9-20(8-12)16(21)10-22-17-14-5-3-4-6-15(14)18-11-19-17/h3-6,11-13H,7-10H2,1-2H3
InChIKeyUKSVPCHTHZXVNK-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.51
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone

1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone (PubChem CID 4164452) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
PubChem CID4164452
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
SMILESCC1CC(C)CN(C(=O)COc2ncnc3ccccc23)C1
InChIInChI=1S/C17H21N3O2/c1-12-7-13(2)9-20(8-12)16(21)10-22-17-14-5-3-4-6-15(14)18-11-19-17/h3-6,11-13H,7-10H2,1-2H3
InChIKeyUKSVPCHTHZXVNK-UHFFFAOYSA-N
XLogP2.51
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 70722433
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanone
CID 8893922
1-(3,5-dimethylpiperidin-1-yl)-2-pyridin-2-yloxyethanone
CID 112788689
1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 166318304
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone
CID 5000915
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone
CID 2125605
4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50969210
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 90649083
N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 86285494
1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone
CID 39834425

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone (CID 4164452) is 1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone is CC1CC(C)CN(C(=O)COc2ncnc3ccccc23)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone?
The InChIKey is UKSVPCHTHZXVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-7-13(2)9-20(8-12)16(21)10-22-17-14-5-3-4-6-15(14)18-11-19-17/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone has a molecular weight of 299.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 4164452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).