1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone

C16H19N3O2 — CID 2383474

IUPAC1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
SMILESCC1CCN(C(=O)COc2ncnc3ccccc23)CC1
InChIInChI=1S/C16H19N3O2/c1-12-6-8-19(9-7-12)15(20)10-21-16-13-4-2-3-5-14(13)17-11-18-16/h2-5,11-12H,6-10H2,1H3
InChIKeyLUOODIYUTYODGY-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.27
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone

1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone (PubChem CID 2383474) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
PubChem CID2383474
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
SMILESCC1CCN(C(=O)COc2ncnc3ccccc23)CC1
InChIInChI=1S/C16H19N3O2/c1-12-6-8-19(9-7-12)15(20)10-21-16-13-4-2-3-5-14(13)17-11-18-16/h2-5,11-12H,6-10H2,1H3
InChIKeyLUOODIYUTYODGY-UHFFFAOYSA-N
XLogP2.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone (CID 2383474) is 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone is CC1CCN(C(=O)COc2ncnc3ccccc23)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone?
The InChIKey is LUOODIYUTYODGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-6-8-19(9-7-12)15(20)10-21-16-13-4-2-3-5-14(13)17-11-18-16/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone?
1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone has a molecular weight of 285.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 2383474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).