5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline

C19H20N6O4 — CID 22036476

IUPAC5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
SMILESO=[N+]([O-])c1ccc(OCCOc2nccnc2N2CCNCC2)c2ncccc12
InChIInChI=1S/C19H20N6O4/c26-25(27)15-3-4-16(17-14(15)2-1-5-21-17)28-12-13-29-19-18(22-6-7-23-19)24-10-8-20-9-11-24/h1-7,20H,8-13H2
InChIKeyMVTIRDNKUIHVJH-UHFFFAOYSA-N
MW396.41 g/mol
LogP1.80
Rot. Bonds7

About 5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline

5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline (PubChem CID 22036476) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is 5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline.

Molecular Properties

Compound Name5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
PubChem CID22036476
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC Name5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
SMILESO=[N+]([O-])c1ccc(OCCOc2nccnc2N2CCNCC2)c2ncccc12
InChIInChI=1S/C19H20N6O4/c26-25(27)15-3-4-16(17-14(15)2-1-5-21-17)28-12-13-29-19-18(22-6-7-23-19)24-10-8-20-9-11-24/h1-7,20H,8-13H2
InChIKeyMVTIRDNKUIHVJH-UHFFFAOYSA-N
XLogP1.80
TPSA115.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
CID 22036264
5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline
CID 22036271
8-(2-chloroethoxy)-5-nitroquinoline
CID 60863321
2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
CID 22036368
N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine
CID 60863686
tris[(5-nitroquinolin-8-yl)oxymethyl] phosphate
CID 166679929
ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate
CID 60865673
7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole
CID 22036358
4-(5-nitroquinolin-8-yl)piperazin-2-one
CID 46850818
(E)-but-2-enedioic acid;4-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1,3-benzoxazol-2-amine
CID 22036400
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
N'-hydroxy-2-(5-nitroquinolin-8-yl)oxyethanimidamide
CID 71320044

Frequently Asked Questions

What is the IUPAC name of 5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline?
The IUPAC name of 5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline (CID 22036476) is 5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline.
What is the SMILES notation for 5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline?
The canonical SMILES for 5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline is O=[N+]([O-])c1ccc(OCCOc2nccnc2N2CCNCC2)c2ncccc12.
What is the InChIKey of 5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline?
The InChIKey is MVTIRDNKUIHVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c26-25(27)15-3-4-16(17-14(15)2-1-5-21-17)28-12-13-29-19-18(22-6-7-23-19)24-10-8-20-9-11-24/h1-7,20H,8-13H2.
What are the key properties of 5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline?
5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline has a molecular weight of 396.41 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline is sourced from PubChem (CID 22036476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).