2-(2-methoxyethyl)-3-nitroquinoline

C12H12N2O3 — CID 140973022

IUPAC2-(2-methoxyethyl)-3-nitroquinoline
SMILESCOCCc1nc2ccccc2cc1[N+](=O)[O-]
InChIInChI=1S/C12H12N2O3/c1-17-7-6-11-12(14(15)16)8-9-4-2-3-5-10(9)13-11/h2-5,8H,6-7H2,1H3
InChIKeyVCWBCQHHTUFUME-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.33
Rot. Bonds4

About 2-(2-methoxyethyl)-3-nitroquinoline

2-(2-methoxyethyl)-3-nitroquinoline (PubChem CID 140973022) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-3-nitroquinoline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-3-nitroquinoline
PubChem CID140973022
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(2-methoxyethyl)-3-nitroquinoline
SMILESCOCCc1nc2ccccc2cc1[N+](=O)[O-]
InChIInChI=1S/C12H12N2O3/c1-17-7-6-11-12(14(15)16)8-9-4-2-3-5-10(9)13-11/h2-5,8H,6-7H2,1H3
InChIKeyVCWBCQHHTUFUME-UHFFFAOYSA-N
XLogP2.33
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethyl)-3-nitroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-3-nitroquinoline?
The IUPAC name of 2-(2-methoxyethyl)-3-nitroquinoline (CID 140973022) is 2-(2-methoxyethyl)-3-nitroquinoline.
What is the SMILES notation for 2-(2-methoxyethyl)-3-nitroquinoline?
The canonical SMILES for 2-(2-methoxyethyl)-3-nitroquinoline is COCCc1nc2ccccc2cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-methoxyethyl)-3-nitroquinoline?
The InChIKey is VCWBCQHHTUFUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-17-7-6-11-12(14(15)16)8-9-4-2-3-5-10(9)13-11/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-3-nitroquinoline?
2-(2-methoxyethyl)-3-nitroquinoline has a molecular weight of 232.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-3-nitroquinoline is sourced from PubChem (CID 140973022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).