N-(2-ethoxypropyl)-5-nitroquinolin-6-amine

C14H17N3O3 — CID 115658194

IUPACN-(2-ethoxypropyl)-5-nitroquinolin-6-amine
SMILESCCOC(C)CNc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O3/c1-3-20-10(2)9-16-13-7-6-12-11(5-4-8-15-12)14(13)17(18)19/h4-8,10,16H,3,9H2,1-2H3
InChIKeyZIKRAZCHRIGJJY-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.98
Rot. Bonds6

About N-(2-ethoxypropyl)-5-nitroquinolin-6-amine

N-(2-ethoxypropyl)-5-nitroquinolin-6-amine (PubChem CID 115658194) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-5-nitroquinolin-6-amine.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-5-nitroquinolin-6-amine
PubChem CID115658194
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(2-ethoxypropyl)-5-nitroquinolin-6-amine
SMILESCCOC(C)CNc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O3/c1-3-20-10(2)9-16-13-7-6-12-11(5-4-8-15-12)14(13)17(18)19/h4-8,10,16H,3,9H2,1-2H3
InChIKeyZIKRAZCHRIGJJY-UHFFFAOYSA-N
XLogP2.98
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
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

5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine
CID 104577066
N-(3-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115622183
ethyl 2-[(5-nitroquinolin-6-yl)amino]propanoate
CID 61499171
N-(2-methoxy-2-methylpropyl)-5-nitroquinolin-6-amine
CID 115658506
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
CID 43809964
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine
CID 115310824
N-(4-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115637438
5-nitro-N-(4,4,4-trifluorobutan-2-yl)quinolin-6-amine
CID 104854563
N'-(5-nitroquinolin-6-yl)-N-phenylpropane-1,3-diamine
CID 86938939
5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine
CID 51117035
6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
CID 103918121

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-5-nitroquinolin-6-amine?
The IUPAC name of N-(2-ethoxypropyl)-5-nitroquinolin-6-amine (CID 115658194) is N-(2-ethoxypropyl)-5-nitroquinolin-6-amine.
What is the SMILES notation for N-(2-ethoxypropyl)-5-nitroquinolin-6-amine?
The canonical SMILES for N-(2-ethoxypropyl)-5-nitroquinolin-6-amine is CCOC(C)CNc1ccc2ncccc2c1[N+](=O)[O-].
What is the InChIKey of N-(2-ethoxypropyl)-5-nitroquinolin-6-amine?
The InChIKey is ZIKRAZCHRIGJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-20-10(2)9-16-13-7-6-12-11(5-4-8-15-12)14(13)17(18)19/h4-8,10,16H,3,9H2,1-2H3.
What are the key properties of N-(2-ethoxypropyl)-5-nitroquinolin-6-amine?
N-(2-ethoxypropyl)-5-nitroquinolin-6-amine has a molecular weight of 275.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-5-nitroquinolin-6-amine is sourced from PubChem (CID 115658194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).