sodium 4-piperazin-1-ylquinolin-7-olate

C13H14N3NaO — CID 141086656

IUPACsodium 4-piperazin-1-ylquinolin-7-olate
SMILES[Na+].[O-]c1ccc2c(N3CCNCC3)ccnc2c1
InChIInChI=1S/C13H15N3O.Na/c17-10-1-2-11-12(9-10)15-4-3-13(11)16-7-5-14-6-8-16;/h1-4,9,14,17H,5-8H2;/q;+1/p-1
InChIKeyZIJUDYDDVKTTDI-UHFFFAOYSA-M
MW251.27 g/mol
LogP-2.28
Rot. Bonds1

About sodium 4-piperazin-1-ylquinolin-7-olate

sodium 4-piperazin-1-ylquinolin-7-olate (PubChem CID 141086656) has the molecular formula C13H14N3NaO and a molecular weight of 251.27 g/mol. Its IUPAC name is sodium 4-piperazin-1-ylquinolin-7-olate.

Molecular Properties

Compound Namesodium 4-piperazin-1-ylquinolin-7-olate
PubChem CID141086656
Molecular FormulaC13H14N3NaO
Molecular Weight251.27 g/mol
Exact Mass251.10
IUPAC Namesodium 4-piperazin-1-ylquinolin-7-olate
SMILES[Na+].[O-]c1ccc2c(N3CCNCC3)ccnc2c1
InChIInChI=1S/C13H15N3O.Na/c17-10-1-2-11-12(9-10)15-4-3-13(11)16-7-5-14-6-8-16;/h1-4,9,14,17H,5-8H2;/q;+1/p-1
InChIKeyZIJUDYDDVKTTDI-UHFFFAOYSA-M
XLogP-2.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 5-2.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;hydride;4-piperazin-1-ylquinolin-7-ol
CID 173028070
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137
4-(1,4-diazepan-1-yl)quinoline
CID 61339543
7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
CID 125340732
5-piperazin-1-ylquinoline
CID 10656226
4-(1,4-diazepan-1-yl)-6-fluoroquinoline
CID 53399075
4-piperazin-1-yl-1,5-naphthyridine
CID 57013367
6-(3,5-dimethylphenyl)sulfonyl-4-piperazin-1-ylquinoline
CID 10002066
7-piperazin-1-ylthieno[3,2-b]pyridine
CID 67539796
7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline
CID 139772933
7-chloro-4-(3-methylpiperazin-1-yl)quinoline
CID 21101961
4-(7-chloroquinolin-4-yl)piperazin-2-one
CID 39847442

Frequently Asked Questions

What is the IUPAC name of sodium 4-piperazin-1-ylquinolin-7-olate?
The IUPAC name of sodium 4-piperazin-1-ylquinolin-7-olate (CID 141086656) is sodium 4-piperazin-1-ylquinolin-7-olate.
What is the SMILES notation for sodium 4-piperazin-1-ylquinolin-7-olate?
The canonical SMILES for sodium 4-piperazin-1-ylquinolin-7-olate is [Na+].[O-]c1ccc2c(N3CCNCC3)ccnc2c1.
What is the InChIKey of sodium 4-piperazin-1-ylquinolin-7-olate?
The InChIKey is ZIJUDYDDVKTTDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15N3O.Na/c17-10-1-2-11-12(9-10)15-4-3-13(11)16-7-5-14-6-8-16;/h1-4,9,14,17H,5-8H2;/q;+1/p-1.
What are the key properties of sodium 4-piperazin-1-ylquinolin-7-olate?
sodium 4-piperazin-1-ylquinolin-7-olate has a molecular weight of 251.27 g/mol, XLogP of -2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-piperazin-1-ylquinolin-7-olate is sourced from PubChem (CID 141086656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).