2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,7-dimethylquinoline

C22H25N3O — CID 4839918

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,7-dimethylquinoline
SMILESCOc1ccc(N2CCN(c3cc(C)c4ccc(C)cc4n3)CC2)cc1
InChIInChI=1S/C22H25N3O/c1-16-4-9-20-17(2)15-22(23-21(20)14-16)25-12-10-24(11-13-25)18-5-7-19(26-3)8-6-18/h4-9,14-15H,10-13H2,1-3H3
InChIKeyYBRVBNDJOVPVFV-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.19
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,7-dimethylquinoline

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,7-dimethylquinoline (PubChem CID 4839918) 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]-4,7-dimethylquinoline.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,7-dimethylquinoline
PubChem CID4839918
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,7-dimethylquinoline
SMILESCOc1ccc(N2CCN(c3cc(C)c4ccc(C)cc4n3)CC2)cc1
InChIInChI=1S/C22H25N3O/c1-16-4-9-20-17(2)15-22(23-21(20)14-16)25-12-10-24(11-13-25)18-5-7-19(26-3)8-6-18/h4-9,14-15H,10-13H2,1-3H3
InChIKeyYBRVBNDJOVPVFV-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]-4,7-dimethylquinoline?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,7-dimethylquinoline (CID 4839918) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,7-dimethylquinoline.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,7-dimethylquinoline?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,7-dimethylquinoline is COc1ccc(N2CCN(c3cc(C)c4ccc(C)cc4n3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,7-dimethylquinoline?
The InChIKey is YBRVBNDJOVPVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-4-9-20-17(2)15-22(23-21(20)14-16)25-12-10-24(11-13-25)18-5-7-19(26-3)8-6-18/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,7-dimethylquinoline?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4,7-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]-4,7-dimethylquinoline is sourced from PubChem (CID 4839918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).