7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol

C24H28ClN3O2 — CID 23604751

IUPAC7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol
SMILESCC(C)OCc1cc(CN2CCN(c3cccc(Cl)c3)CC2)c(O)c2ncccc12
InChIInChI=1S/C24H28ClN3O2/c1-17(2)30-16-19-13-18(24(29)23-22(19)7-4-8-26-23)15-27-9-11-28(12-10-27)21-6-3-5-20(25)14-21/h3-8,13-14,17,29H,9-12,15-16H2,1-2H3
InChIKeyIENYQAIEIIEHTE-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.84
Rot. Bonds6

About 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol

7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol (PubChem CID 23604751) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol.

Molecular Properties

Compound Name7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol
PubChem CID23604751
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol
SMILESCC(C)OCc1cc(CN2CCN(c3cccc(Cl)c3)CC2)c(O)c2ncccc12
InChIInChI=1S/C24H28ClN3O2/c1-17(2)30-16-19-13-18(24(29)23-22(19)7-4-8-26-23)15-27-9-11-28(12-10-27)21-6-3-5-20(25)14-21/h3-8,13-14,17,29H,9-12,15-16H2,1-2H3
InChIKeyIENYQAIEIIEHTE-UHFFFAOYSA-N
XLogP4.84
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol?
The IUPAC name of 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol (CID 23604751) is 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol.
What is the SMILES notation for 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol?
The canonical SMILES for 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol is CC(C)OCc1cc(CN2CCN(c3cccc(Cl)c3)CC2)c(O)c2ncccc12.
What is the InChIKey of 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol?
The InChIKey is IENYQAIEIIEHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-17(2)30-16-19-13-18(24(29)23-22(19)7-4-8-26-23)15-27-9-11-28(12-10-27)21-6-3-5-20(25)14-21/h3-8,13-14,17,29H,9-12,15-16H2,1-2H3.
What are the key properties of 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol?
7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol has a molecular weight of 425.96 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(propan-2-yloxymethyl)quinolin-8-ol is sourced from PubChem (CID 23604751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).