(4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone

C26H24N4O — CID 4261993

IUPAC(4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H24N4O/c31-26(30-16-14-29(15-17-30)19-20-6-2-1-3-7-20)23-18-25(21-10-12-27-13-11-21)28-24-9-5-4-8-22(23)24/h1-13,18H,14-17,19H2
InChIKeyFOQDWHNMZXFFBI-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.25
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone

(4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone (PubChem CID 4261993) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
PubChem CID4261993
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name(4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H24N4O/c31-26(30-16-14-29(15-17-30)19-20-6-2-1-3-7-20)23-18-25(21-10-12-27-13-11-21)28-24-9-5-4-8-22(23)24/h1-13,18H,14-17,19H2
InChIKeyFOQDWHNMZXFFBI-UHFFFAOYSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone (CID 4261993) is (4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone is O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
The InChIKey is FOQDWHNMZXFFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c31-26(30-16-14-29(15-17-30)19-20-6-2-1-3-7-20)23-18-25(21-10-12-27-13-11-21)28-24-9-5-4-8-22(23)24/h1-13,18H,14-17,19H2.
What are the key properties of (4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone?
(4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone has a molecular weight of 408.51 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone is sourced from PubChem (CID 4261993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).