6-ethyl-3-nitro-4-phenylquinoline

C17H14N2O2 — CID 15035174

IUPAC6-ethyl-3-nitro-4-phenylquinoline
SMILESCCc1ccc2ncc([N+](=O)[O-])c(-c3ccccc3)c2c1
InChIInChI=1S/C17H14N2O2/c1-2-12-8-9-15-14(10-12)17(13-6-4-3-5-7-13)16(11-18-15)19(20)21/h3-11H,2H2,1H3
InChIKeyNGCKPSLFVGBBNA-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.37
Rot. Bonds3

About 6-ethyl-3-nitro-4-phenylquinoline

6-ethyl-3-nitro-4-phenylquinoline (PubChem CID 15035174) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-ethyl-3-nitro-4-phenylquinoline.

Molecular Properties

Compound Name6-ethyl-3-nitro-4-phenylquinoline
PubChem CID15035174
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name6-ethyl-3-nitro-4-phenylquinoline
SMILESCCc1ccc2ncc([N+](=O)[O-])c(-c3ccccc3)c2c1
InChIInChI=1S/C17H14N2O2/c1-2-12-8-9-15-14(10-12)17(13-6-4-3-5-7-13)16(11-18-15)19(20)21/h3-11H,2H2,1H3
InChIKeyNGCKPSLFVGBBNA-UHFFFAOYSA-N
XLogP4.37
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-nitro-4-phenylquinoline?
The IUPAC name of 6-ethyl-3-nitro-4-phenylquinoline (CID 15035174) is 6-ethyl-3-nitro-4-phenylquinoline.
What is the SMILES notation for 6-ethyl-3-nitro-4-phenylquinoline?
The canonical SMILES for 6-ethyl-3-nitro-4-phenylquinoline is CCc1ccc2ncc([N+](=O)[O-])c(-c3ccccc3)c2c1.
What is the InChIKey of 6-ethyl-3-nitro-4-phenylquinoline?
The InChIKey is NGCKPSLFVGBBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-2-12-8-9-15-14(10-12)17(13-6-4-3-5-7-13)16(11-18-15)19(20)21/h3-11H,2H2,1H3.
What are the key properties of 6-ethyl-3-nitro-4-phenylquinoline?
6-ethyl-3-nitro-4-phenylquinoline has a molecular weight of 278.31 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-nitro-4-phenylquinoline is sourced from PubChem (CID 15035174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).