[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone

C18H23N3O2 — CID 56781887

IUPAC[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone
SMILESCC(C)(O)CN1CCN(C(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C18H23N3O2/c1-18(2,23)13-20-9-11-21(12-10-20)17(22)15-7-3-5-14-6-4-8-19-16(14)15/h3-8,23H,9-13H2,1-2H3
InChIKeyRZVGIWLJZATZCB-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.76
Rot. Bonds3

About [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone

[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone (PubChem CID 56781887) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone
PubChem CID56781887
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone
SMILESCC(C)(O)CN1CCN(C(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C18H23N3O2/c1-18(2,23)13-20-9-11-21(12-10-20)17(22)15-7-3-5-14-6-4-8-19-16(14)15/h3-8,23H,9-13H2,1-2H3
InChIKeyRZVGIWLJZATZCB-UHFFFAOYSA-N
XLogP1.76
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone?
The IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone (CID 56781887) is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone is CC(C)(O)CN1CCN(C(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone?
The InChIKey is RZVGIWLJZATZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(2,23)13-20-9-11-21(12-10-20)17(22)15-7-3-5-14-6-4-8-19-16(14)15/h3-8,23H,9-13H2,1-2H3.
What are the key properties of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone?
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone has a molecular weight of 313.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 56781887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).