2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol

C15H18N4O3 — CID 2729735

IUPAC2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol
SMILESO=[N+]([O-])c1ccc(N2CCN(CCO)CC2)c2ncccc12
InChIInChI=1S/C15H18N4O3/c20-11-10-17-6-8-18(9-7-17)14-4-3-13(19(21)22)12-2-1-5-16-15(12)14/h1-5,20H,6-11H2
InChIKeyBGKYIPHYQNPZAS-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.26
Rot. Bonds4

About 2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol

2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol (PubChem CID 2729735) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol
PubChem CID2729735
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol
SMILESO=[N+]([O-])c1ccc(N2CCN(CCO)CC2)c2ncccc12
InChIInChI=1S/C15H18N4O3/c20-11-10-17-6-8-18(9-7-17)14-4-3-13(19(21)22)12-2-1-5-16-15(12)14/h1-5,20H,6-11H2
InChIKeyBGKYIPHYQNPZAS-UHFFFAOYSA-N
XLogP1.26
TPSA82.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-Nitroquinoline
CID 11830
5-Nitro-1,10-phenanthroline
CID 72790
Troquidazole
CID 65903
(2S)-1-amino-3-((5-nitroquinolin-8-yl)amino)propan-2-ol
CID 6540273
N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine
CID 2829587
4-(8-Nitro-4-quinolyl)morpholine
CID 2960528
N-ethyl-N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine
CID 3096073
5-Morpholin-4-yl-8-nitro-quinoline
CID 3135677
8-(4-Methylpiperazin-1-yl)-5-nitroquinoline
CID 2829619
8-Nitroquinolin-5-amine
CID 5297195
6-Nitroquinolin-5-ylamine
CID 118901
3-morpholino-N-(3-nitrobenzy l)-7-(trifluoromethyl)quinolin-5-amine
CID 52937219

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol (CID 2729735) is 2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol is O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)c2ncccc12.
What is the InChIKey of 2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol?
The InChIKey is BGKYIPHYQNPZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-11-10-17-6-8-18(9-7-17)14-4-3-13(19(21)22)12-2-1-5-16-15(12)14/h1-5,20H,6-11H2.
What are the key properties of 2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol?
2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol has a molecular weight of 302.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 2729735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).