2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol

C16H23N5O — CID 2229253

IUPAC2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
SMILESCCN1CCN(c2nc(NCCO)c3ccccc3n2)CC1
InChIInChI=1S/C16H23N5O/c1-2-20-8-10-21(11-9-20)16-18-14-6-4-3-5-13(14)15(19-16)17-7-12-22/h3-6,22H,2,7-12H2,1H3,(H,17,18,19)
InChIKeyZDVYKCJEYBXXIP-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.18
Rot. Bonds5

About 2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol

2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol (PubChem CID 2229253) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
PubChem CID2229253
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
SMILESCCN1CCN(c2nc(NCCO)c3ccccc3n2)CC1
InChIInChI=1S/C16H23N5O/c1-2-20-8-10-21(11-9-20)16-18-14-6-4-3-5-13(14)15(19-16)17-7-12-22/h3-6,22H,2,7-12H2,1H3,(H,17,18,19)
InChIKeyZDVYKCJEYBXXIP-UHFFFAOYSA-N
XLogP1.18
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol (CID 2229253) is 2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol is CCN1CCN(c2nc(NCCO)c3ccccc3n2)CC1.
What is the InChIKey of 2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol?
The InChIKey is ZDVYKCJEYBXXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-2-20-8-10-21(11-9-20)16-18-14-6-4-3-5-13(14)15(19-16)17-7-12-22/h3-6,22H,2,7-12H2,1H3,(H,17,18,19).
What are the key properties of 2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol?
2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol has a molecular weight of 301.39 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 2229253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).