[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone

C21H21N3O2 — CID 2023384

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)c1
InChIInChI=1S/C21H21N3O2/c1-26-18-7-4-6-17(15-18)23-11-13-24(14-12-23)21(25)20-10-9-16-5-2-3-8-19(16)22-20/h2-10,15H,11-14H2,1H3
InChIKeyIAIIQPGZJGWOCF-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.21
Rot. Bonds3

About [4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone

[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone (PubChem CID 2023384) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
PubChem CID2023384
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)c1
InChIInChI=1S/C21H21N3O2/c1-26-18-7-4-6-17(15-18)23-11-13-24(14-12-23)21(25)20-10-9-16-5-2-3-8-19(16)22-20/h2-10,15H,11-14H2,1H3
InChIKeyIAIIQPGZJGWOCF-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-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone with MolForge

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Related Compounds

(4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 9228414
(2-hydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 11429878
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-quinolin-2-ylmethanone
CID 30953204
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119829444
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357
[2-(3-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4256561
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone
CID 46288051
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone
CID 7494612
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone (CID 2023384) is [4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone is COc1cccc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is IAIIQPGZJGWOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-18-7-4-6-17(15-18)23-11-13-24(14-12-23)21(25)20-10-9-16-5-2-3-8-19(16)22-20/h2-10,15H,11-14H2,1H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone 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-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 2023384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).