4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one

C20H21N3O — CID 13317108

IUPAC4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one
SMILESO=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccccc2[nH]1
InChIInChI=1S/C20H21N3O/c24-20-14-19(17-8-4-5-9-18(17)21-20)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,21,24)
InChIKeyGAFWUMCSUVHVGL-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.85
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one

4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one (PubChem CID 13317108) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one
PubChem CID13317108
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one
SMILESO=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccccc2[nH]1
InChIInChI=1S/C20H21N3O/c24-20-14-19(17-8-4-5-9-18(17)21-20)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,21,24)
InChIKeyGAFWUMCSUVHVGL-UHFFFAOYSA-N
XLogP2.85
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one (CID 13317108) is 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one is O=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccccc2[nH]1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one?
The InChIKey is GAFWUMCSUVHVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-20-14-19(17-8-4-5-9-18(17)21-20)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,21,24).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one?
4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one has a molecular weight of 319.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one is sourced from PubChem (CID 13317108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).