1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone

C15H18N4O — CID 15428776

IUPAC1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(N)nc3ccccc23)CC1
InChIInChI=1S/C15H18N4O/c1-10(20)19-8-6-11(7-9-19)14-12-4-2-3-5-13(12)17-15(16)18-14/h2-5,11H,6-9H2,1H3,(H2,16,17,18)
InChIKeyUOXKLKAKNUSADL-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.94
Rot. Bonds1

About 1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone

1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone (PubChem CID 15428776) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone
PubChem CID15428776
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(N)nc3ccccc23)CC1
InChIInChI=1S/C15H18N4O/c1-10(20)19-8-6-11(7-9-19)14-12-4-2-3-5-13(12)17-15(16)18-14/h2-5,11H,6-9H2,1H3,(H2,16,17,18)
InChIKeyUOXKLKAKNUSADL-UHFFFAOYSA-N
XLogP1.94
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone (CID 15428776) is 1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(N)nc3ccccc23)CC1.
What is the InChIKey of 1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is UOXKLKAKNUSADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10(20)19-8-6-11(7-9-19)14-12-4-2-3-5-13(12)17-15(16)18-14/h2-5,11H,6-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone?
1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 270.34 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 15428776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).