5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one

C15H19N5O — CID 80816791

IUPAC5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one
SMILESCCNc1nc(NC2CCC(=O)NC2)c2ccccc2n1
InChIInChI=1S/C15H19N5O/c1-2-16-15-19-12-6-4-3-5-11(12)14(20-15)18-10-7-8-13(21)17-9-10/h3-6,10H,2,7-9H2,1H3,(H,17,21)(H2,16,18,19,20)
InChIKeyBAUKDMUSTLDOLN-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.75
Rot. Bonds4

About 5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one

5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one (PubChem CID 80816791) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one
PubChem CID80816791
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one
SMILESCCNc1nc(NC2CCC(=O)NC2)c2ccccc2n1
InChIInChI=1S/C15H19N5O/c1-2-16-15-19-12-6-4-3-5-11(12)14(20-15)18-10-7-8-13(21)17-9-10/h3-6,10H,2,7-9H2,1H3,(H,17,21)(H2,16,18,19,20)
InChIKeyBAUKDMUSTLDOLN-UHFFFAOYSA-N
XLogP1.75
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one?
The IUPAC name of 5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one (CID 80816791) is 5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one?
The canonical SMILES for 5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one is CCNc1nc(NC2CCC(=O)NC2)c2ccccc2n1.
What is the InChIKey of 5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one?
The InChIKey is BAUKDMUSTLDOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-16-15-19-12-6-4-3-5-11(12)14(20-15)18-10-7-8-13(21)17-9-10/h3-6,10H,2,7-9H2,1H3,(H,17,21)(H2,16,18,19,20).
What are the key properties of 5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one?
5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 80816791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).