oxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol

C23H25N3O5 — CID 15944762

IUPACoxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol
SMILESO=C(O)C(=O)O.OCCN1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C21H23N3O.C2H2O4/c25-15-14-23-10-12-24(13-11-23)21-16-19(17-6-2-1-3-7-17)18-8-4-5-9-20(18)22-21;3-1(4)2(5)6/h1-9,16,25H,10-15H2;(H,3,4)(H,5,6)
InChIKeyLMJUQPDMTJHFPQ-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.17
Rot. Bonds4

About oxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol

oxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol (PubChem CID 15944762) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is oxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Nameoxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol
PubChem CID15944762
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Nameoxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol
SMILESO=C(O)C(=O)O.OCCN1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C21H23N3O.C2H2O4/c25-15-14-23-10-12-24(13-11-23)21-16-19(17-6-2-1-3-7-17)18-8-4-5-9-20(18)22-21;3-1(4)2(5)6/h1-9,16,25H,10-15H2;(H,3,4)(H,5,6)
InChIKeyLMJUQPDMTJHFPQ-UHFFFAOYSA-N
XLogP2.17
TPSA114.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of oxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol (CID 15944762) is oxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for oxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for oxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol is O=C(O)C(=O)O.OCCN1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of oxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol?
The InChIKey is LMJUQPDMTJHFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O.C2H2O4/c25-15-14-23-10-12-24(13-11-23)21-16-19(17-6-2-1-3-7-17)18-8-4-5-9-20(18)22-21;3-1(4)2(5)6/h1-9,16,25H,10-15H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol?
oxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol has a molecular weight of 423.47 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-[4-(4-phenylquinolin-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 15944762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).