2-[(5-nitroquinolin-6-yl)amino]ethanol

C11H11N3O3 — CID 43809978

IUPAC2-[(5-nitroquinolin-6-yl)amino]ethanol
SMILESO=[N+]([O-])c1c(NCCO)ccc2ncccc12
InChIInChI=1S/C11H11N3O3/c15-7-6-13-10-4-3-9-8(2-1-5-12-9)11(10)14(16)17/h1-5,13,15H,6-7H2
InChIKeyKNUOPYMURHVIRL-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.55
Rot. Bonds4

About 2-[(5-nitroquinolin-6-yl)amino]ethanol

2-[(5-nitroquinolin-6-yl)amino]ethanol (PubChem CID 43809978) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[(5-nitroquinolin-6-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-nitroquinolin-6-yl)amino]ethanol
PubChem CID43809978
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-[(5-nitroquinolin-6-yl)amino]ethanol
SMILESO=[N+]([O-])c1c(NCCO)ccc2ncccc12
InChIInChI=1S/C11H11N3O3/c15-7-6-13-10-4-3-9-8(2-1-5-12-9)11(10)14(16)17/h1-5,13,15H,6-7H2
InChIKeyKNUOPYMURHVIRL-UHFFFAOYSA-N
XLogP1.55
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
CID 103918121
5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine
CID 51117035
N'-(5-nitroquinolin-6-yl)-N-phenylpropane-1,3-diamine
CID 86938939
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
CID 43809964
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine
CID 104577066
N-(4-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115637438
5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine
CID 60970060
N-(3-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115622183
N-(2-methoxy-2-methylpropyl)-5-nitroquinolin-6-amine
CID 115658506
[1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol
CID 115868727
5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine
CID 104972848

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitroquinolin-6-yl)amino]ethanol?
The IUPAC name of 2-[(5-nitroquinolin-6-yl)amino]ethanol (CID 43809978) is 2-[(5-nitroquinolin-6-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-nitroquinolin-6-yl)amino]ethanol?
The canonical SMILES for 2-[(5-nitroquinolin-6-yl)amino]ethanol is O=[N+]([O-])c1c(NCCO)ccc2ncccc12.
What is the InChIKey of 2-[(5-nitroquinolin-6-yl)amino]ethanol?
The InChIKey is KNUOPYMURHVIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-7-6-13-10-4-3-9-8(2-1-5-12-9)11(10)14(16)17/h1-5,13,15H,6-7H2.
What are the key properties of 2-[(5-nitroquinolin-6-yl)amino]ethanol?
2-[(5-nitroquinolin-6-yl)amino]ethanol has a molecular weight of 233.23 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitroquinolin-6-yl)amino]ethanol is sourced from PubChem (CID 43809978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).