2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one

C17H22N4O — CID 39165581

IUPAC2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(Nc2ncnc3ccccc23)CC1
InChIInChI=1S/C17H22N4O/c1-12(2)17(22)21-9-7-13(8-10-21)20-16-14-5-3-4-6-15(14)18-11-19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyUABQYRIPRBAHMR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.69
Rot. Bonds3

About 2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one

2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one (PubChem CID 39165581) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one
PubChem CID39165581
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(Nc2ncnc3ccccc23)CC1
InChIInChI=1S/C17H22N4O/c1-12(2)17(22)21-9-7-13(8-10-21)20-16-14-5-3-4-6-15(14)18-11-19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyUABQYRIPRBAHMR-UHFFFAOYSA-N
XLogP2.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one (CID 39165581) is 2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(Nc2ncnc3ccccc23)CC1.
What is the InChIKey of 2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one?
The InChIKey is UABQYRIPRBAHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)17(22)21-9-7-13(8-10-21)20-16-14-5-3-4-6-15(14)18-11-19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one?
2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 39165581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).