[2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C26H24N4O2 — CID 3245904

IUPAC[2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C26H24N4O2/c1-32-20-11-9-19(10-12-20)24-18-22(21-6-2-3-7-23(21)28-24)26(31)30-16-14-29(15-17-30)25-8-4-5-13-27-25/h2-13,18H,14-17H2,1H3
InChIKeyPPARLLQGRDACAM-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.27
Rot. Bonds4

About [2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 3245904) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID3245904
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name[2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C26H24N4O2/c1-32-20-11-9-19(10-12-20)24-18-22(21-6-2-3-7-23(21)28-24)26(31)30-16-14-29(15-17-30)25-8-4-5-13-27-25/h2-13,18H,14-17H2,1H3
InChIKeyPPARLLQGRDACAM-UHFFFAOYSA-N
XLogP4.27
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-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 [2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 3245904) is [2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is PPARLLQGRDACAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-32-20-11-9-19(10-12-20)24-18-22(21-6-2-3-7-23(21)28-24)26(31)30-16-14-29(15-17-30)25-8-4-5-13-27-25/h2-13,18H,14-17H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 424.50 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 3245904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).