2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline

C21H23N3O — CID 4884632

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
SMILESCOc1ccc(N2CCN(c3cc(C)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C21H23N3O/c1-16-15-21(22-20-6-4-3-5-19(16)20)24-13-11-23(12-14-24)17-7-9-18(25-2)10-8-17/h3-10,15H,11-14H2,1-2H3
InChIKeyBEKDMWUPVWIZGM-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.88
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline (PubChem CID 4884632) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
PubChem CID4884632
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
SMILESCOc1ccc(N2CCN(c3cc(C)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C21H23N3O/c1-16-15-21(22-20-6-4-3-5-19(16)20)24-13-11-23(12-14-24)17-7-9-18(25-2)10-8-17/h3-10,15H,11-14H2,1-2H3
InChIKeyBEKDMWUPVWIZGM-UHFFFAOYSA-N
XLogP3.88
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
4-methyl-2-piperazin-1-ylquinoline
CID 598754
4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 71858345
4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
CID 108777250
7-methoxy-4-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237212
2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline
CID 1365048
2-(5-methoxy-1H-indol-3-yl)-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetic acid
CID 42654111
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
CID 52995635
4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline
CID 108777282
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide
CID 98401545
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163353209

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline (CID 4884632) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline is COc1ccc(N2CCN(c3cc(C)c4ccccc4n3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline?
The InChIKey is BEKDMWUPVWIZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-15-21(22-20-6-4-3-5-19(16)20)24-13-11-23(12-14-24)17-7-9-18(25-2)10-8-17/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline has a molecular weight of 333.44 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline is sourced from PubChem (CID 4884632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).