2-(2-methoxyethoxy)-4-nitroquinolin-3-amine

C12H13N3O4 — CID 19034825

IUPAC2-(2-methoxyethoxy)-4-nitroquinolin-3-amine
SMILESCOCCOc1nc2ccccc2c([N+](=O)[O-])c1N
InChIInChI=1S/C12H13N3O4/c1-18-6-7-19-12-10(13)11(15(16)17)8-4-2-3-5-9(8)14-12/h2-5H,6-7,13H2,1H3
InChIKeyYHTNMCHEPZAGOO-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.75
Rot. Bonds5

About 2-(2-methoxyethoxy)-4-nitroquinolin-3-amine

2-(2-methoxyethoxy)-4-nitroquinolin-3-amine (PubChem CID 19034825) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-4-nitroquinolin-3-amine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-4-nitroquinolin-3-amine
PubChem CID19034825
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-(2-methoxyethoxy)-4-nitroquinolin-3-amine
SMILESCOCCOc1nc2ccccc2c([N+](=O)[O-])c1N
InChIInChI=1S/C12H13N3O4/c1-18-6-7-19-12-10(13)11(15(16)17)8-4-2-3-5-9(8)14-12/h2-5H,6-7,13H2,1H3
InChIKeyYHTNMCHEPZAGOO-UHFFFAOYSA-N
XLogP1.75
TPSA100.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-4-nitroquinolin-3-amine?
The IUPAC name of 2-(2-methoxyethoxy)-4-nitroquinolin-3-amine (CID 19034825) is 2-(2-methoxyethoxy)-4-nitroquinolin-3-amine.
What is the SMILES notation for 2-(2-methoxyethoxy)-4-nitroquinolin-3-amine?
The canonical SMILES for 2-(2-methoxyethoxy)-4-nitroquinolin-3-amine is COCCOc1nc2ccccc2c([N+](=O)[O-])c1N.
What is the InChIKey of 2-(2-methoxyethoxy)-4-nitroquinolin-3-amine?
The InChIKey is YHTNMCHEPZAGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-18-6-7-19-12-10(13)11(15(16)17)8-4-2-3-5-9(8)14-12/h2-5H,6-7,13H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-4-nitroquinolin-3-amine?
2-(2-methoxyethoxy)-4-nitroquinolin-3-amine has a molecular weight of 263.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-4-nitroquinolin-3-amine is sourced from PubChem (CID 19034825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).