2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline

C22H25N3O — CID 2531524

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline
SMILESCOc1ccc(N2CCN(c3cc(C)c4cccc(C)c4n3)CC2)cc1
InChIInChI=1S/C22H25N3O/c1-16-5-4-6-20-17(2)15-21(23-22(16)20)25-13-11-24(12-14-25)18-7-9-19(26-3)10-8-18/h4-10,15H,11-14H2,1-3H3
InChIKeyBEKCWACWOPMDFW-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.19
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline (PubChem CID 2531524) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline
PubChem CID2531524
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline
SMILESCOc1ccc(N2CCN(c3cc(C)c4cccc(C)c4n3)CC2)cc1
InChIInChI=1S/C22H25N3O/c1-16-5-4-6-20-17(2)15-21(23-22(16)20)25-13-11-24(12-14-25)18-7-9-19(26-3)10-8-18/h4-10,15H,11-14H2,1-3H3
InChIKeyBEKCWACWOPMDFW-UHFFFAOYSA-N
XLogP4.19
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline (CID 2531524) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline is COc1ccc(N2CCN(c3cc(C)c4cccc(C)c4n3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline?
The InChIKey is BEKCWACWOPMDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-5-4-6-20-17(2)15-21(23-22(16)20)25-13-11-24(12-14-25)18-7-9-19(26-3)10-8-18/h4-10,15H,11-14H2,1-3H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,8-dimethylquinoline has a molecular weight of 347.46 g/mol, XLogP of 4.19, 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]-4,8-dimethylquinoline is sourced from PubChem (CID 2531524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).