(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone

C21H21N3O2 — CID 113079735

IUPAC(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-18-9-7-17(8-10-18)21(25)24-14-12-23(13-15-24)19-6-2-4-16-5-3-11-22-20(16)19/h2-11H,12-15H2,1H3
InChIKeyDWCOXFVKPOKXOE-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.21
Rot. Bonds3

About (4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone

(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone (PubChem CID 113079735) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
PubChem CID113079735
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-18-9-7-17(8-10-18)21(25)24-14-12-23(13-15-24)19-6-2-4-16-5-3-11-22-20(16)19/h2-11H,12-15H2,1H3
InChIKeyDWCOXFVKPOKXOE-UHFFFAOYSA-N
XLogP3.21
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxyphenyl)-(4-quinolin-8-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

Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 158170125
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 57050933
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone
CID 89311572
N-[4-[4-(4-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 67505232
(2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079758
[4-(2,6-dichlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113080416
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
N-propyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113103296
4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114017

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone (CID 113079735) is (4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2CCN(c3cccc4cccnc34)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone?
The InChIKey is DWCOXFVKPOKXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-18-9-7-17(8-10-18)21(25)24-14-12-23(13-15-24)19-6-2-4-16-5-3-11-22-20(16)19/h2-11H,12-15H2,1H3.
What are the key properties of (4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone?
(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 113079735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).