8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline

C23H25N3O — CID 171541804

IUPAC8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
SMILESC=Cc1ccc(CN2CCN(c3ccc(OC)cc3)CC2)c2cccnc12
InChIInChI=1S/C23H25N3O/c1-3-18-6-7-19(22-5-4-12-24-23(18)22)17-25-13-15-26(16-14-25)20-8-10-21(27-2)11-9-20/h3-12H,1,13-17H2,2H3
InChIKeyUWLCDBNAYJCMNC-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.21
Rot. Bonds5

About 8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline

8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline (PubChem CID 171541804) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
PubChem CID171541804
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
SMILESC=Cc1ccc(CN2CCN(c3ccc(OC)cc3)CC2)c2cccnc12
InChIInChI=1S/C23H25N3O/c1-3-18-6-7-19(22-5-4-12-24-23(18)22)17-25-13-15-26(16-14-25)20-8-10-21(27-2)11-9-20/h3-12H,1,13-17H2,2H3
InChIKeyUWLCDBNAYJCMNC-UHFFFAOYSA-N
XLogP4.21
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.21
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 8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline?
The IUPAC name of 8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline (CID 171541804) is 8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline?
The canonical SMILES for 8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline is C=Cc1ccc(CN2CCN(c3ccc(OC)cc3)CC2)c2cccnc12.
What is the InChIKey of 8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline?
The InChIKey is UWLCDBNAYJCMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-18-6-7-19(22-5-4-12-24-23(18)22)17-25-13-15-26(16-14-25)20-8-10-21(27-2)11-9-20/h3-12H,1,13-17H2,2H3.
What are the key properties of 8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline?
8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline has a molecular weight of 359.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 171541804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).