N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine

C15H19N3O3 — CID 63197163

IUPACN-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine
SMILESCCNC(COC)Cc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O3/c1-3-16-12(10-21-2)9-11-6-7-14-13(5-4-8-17-14)15(11)18(19)20/h4-8,12,16H,3,9-10H2,1-2H3
InChIKeyWTRONIHRYXBRJS-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.31
Rot. Bonds7

About N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine

N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine (PubChem CID 63197163) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine
PubChem CID63197163
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine
SMILESCCNC(COC)Cc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O3/c1-3-16-12(10-21-2)9-11-6-7-14-13(5-4-8-17-14)15(11)18(19)20/h4-8,12,16H,3,9-10H2,1-2H3
InChIKeyWTRONIHRYXBRJS-UHFFFAOYSA-N
XLogP2.31
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.31
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

1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-one
CID 55163543
ethyl 2-(5-nitroquinolin-6-yl)acetate
CID 53419418
N-ethyl-1-(4-fluoro-2-nitrophenyl)-3-methoxypropan-2-amine
CID 63197736
2-[2-(ethylamino)-3-methoxypropyl]-5-nitrobenzonitrile
CID 115501697
N-ethyl-1-(5-nitroquinolin-8-yl)pentan-2-amine
CID 63198504
5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine
CID 104577066
5-nitroquinolin-6-ol
CID 3997706
N-(2-methoxy-2-methylpropyl)-5-nitroquinolin-6-amine
CID 115658506
N-(2-ethoxypropyl)-5-nitroquinolin-6-amine
CID 115658194
5,6-dinitroquinoline
CID 119087514
ethyl 2-[(5-nitroquinolin-6-yl)amino]propanoate
CID 61499171
6-iodo-5-nitroquinoline
CID 119093453

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine (CID 63197163) is N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine is CCNC(COC)Cc1ccc2ncccc2c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine?
The InChIKey is WTRONIHRYXBRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-16-12(10-21-2)9-11-6-7-14-13(5-4-8-17-14)15(11)18(19)20/h4-8,12,16H,3,9-10H2,1-2H3.
What are the key properties of N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine?
N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine has a molecular weight of 289.33 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine is sourced from PubChem (CID 63197163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).