[4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone

C20H19N3O2 — CID 2454966

IUPAC[4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H19N3O2/c24-19-8-4-3-7-18(19)22-11-13-23(14-12-22)20(25)17-10-9-15-5-1-2-6-16(15)21-17/h1-10,24H,11-14H2
InChIKeyKVSRWCYGUOGUHX-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.90
Rot. Bonds2

About [4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone

[4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone (PubChem CID 2454966) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is [4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
PubChem CID2454966
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name[4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H19N3O2/c24-19-8-4-3-7-18(19)22-11-13-23(14-12-22)20(25)17-10-9-15-5-1-2-6-16(15)21-17/h1-10,24H,11-14H2
InChIKeyKVSRWCYGUOGUHX-UHFFFAOYSA-N
XLogP2.90
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone (CID 2454966) is [4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of [4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is KVSRWCYGUOGUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-19-8-4-3-7-18(19)22-11-13-23(14-12-22)20(25)17-10-9-15-5-1-2-6-16(15)21-17/h1-10,24H,11-14H2.
What are the key properties of [4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone?
[4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 333.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 2454966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).