5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine

C14H17N3O3 — CID 104577066

IUPAC5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine
SMILESCC(C)OCCNc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O3/c1-10(2)20-9-8-16-13-6-5-12-11(4-3-7-15-12)14(13)17(18)19/h3-7,10,16H,8-9H2,1-2H3
InChIKeyYKWPUNFGWVZXQT-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.98
Rot. Bonds6

About 5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine

5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine (PubChem CID 104577066) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine.

Molecular Properties

Compound Name5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine
PubChem CID104577066
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine
SMILESCC(C)OCCNc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O3/c1-10(2)20-9-8-16-13-6-5-12-11(4-3-7-15-12)14(13)17(18)19/h3-7,10,16H,8-9H2,1-2H3
InChIKeyYKWPUNFGWVZXQT-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': '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

N-(3-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115622183
N-(2-ethoxypropyl)-5-nitroquinolin-6-amine
CID 115658194
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
CID 43809964
N-(4-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115637438
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
N-(2-methoxy-2-methylpropyl)-5-nitroquinolin-6-amine
CID 115658506
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine
CID 60970060
2-nitro-3-N-(2-propan-2-yloxyethyl)-1-N-propylbenzene-1,3-diamine
CID 104767134

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine?
The IUPAC name of 5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine (CID 104577066) is 5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine.
What is the SMILES notation for 5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine?
The canonical SMILES for 5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine is CC(C)OCCNc1ccc2ncccc2c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine?
The InChIKey is YKWPUNFGWVZXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(2)20-9-8-16-13-6-5-12-11(4-3-7-15-12)14(13)17(18)19/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of 5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine?
5-nitro-N-(2-propan-2-yloxyethyl)quinolin-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 5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine is sourced from PubChem (CID 104577066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).