6-nitro-2-(2-phenylethenyl)quinoline

C17H12N2O2 — CID 54158128

IUPAC6-nitro-2-(2-phenylethenyl)quinoline
SMILESO=[N+]([O-])c1ccc2nc(C=Cc3ccccc3)ccc2c1
InChIInChI=1S/C17H12N2O2/c20-19(21)16-10-11-17-14(12-16)7-9-15(18-17)8-6-13-4-2-1-3-5-13/h1-12H
InChIKeyOMMUBFAYUSMXPE-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.31
Rot. Bonds3

About 6-nitro-2-(2-phenylethenyl)quinoline

6-nitro-2-(2-phenylethenyl)quinoline (PubChem CID 54158128) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-nitro-2-(2-phenylethenyl)quinoline.

Molecular Properties

Compound Name6-nitro-2-(2-phenylethenyl)quinoline
PubChem CID54158128
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name6-nitro-2-(2-phenylethenyl)quinoline
SMILESO=[N+]([O-])c1ccc2nc(C=Cc3ccccc3)ccc2c1
InChIInChI=1S/C17H12N2O2/c20-19(21)16-10-11-17-14(12-16)7-9-15(18-17)8-6-13-4-2-1-3-5-13/h1-12H
InChIKeyOMMUBFAYUSMXPE-UHFFFAOYSA-N
XLogP4.31
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.31
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'}

Analyze 6-nitro-2-(2-phenylethenyl)quinoline with MolForge

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

Launch Full Analysis

Related Compounds

2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-6-nitroquinoline
CID 167772581
6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
CID 154036186
2-[(E)-2-phenylethenyl]quinolin-6-amine
CID 18506496
2-(2-phenylethenyl)quinolin-6-amine
CID 54111985
6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole
CID 92970296
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
5-nitro-2-[(E)-2-phenylethenyl]benzonitrile
CID 6255915
1-methyl-4-nitro-2-(2-phenylethenyl)benzene
CID 816813
6,7-difluoro-2-(2-phenylethenyl)quinoline
CID 57258860
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
2-[2-(3-nitrophenyl)ethenyl]pyridine;6-(2-phenylethenyl)pyridine-2-carboxylic acid
CID 174421018
2-nitro-4-(2-phenylethenyl)quinoline
CID 57009793

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-(2-phenylethenyl)quinoline?
The IUPAC name of 6-nitro-2-(2-phenylethenyl)quinoline (CID 54158128) is 6-nitro-2-(2-phenylethenyl)quinoline.
What is the SMILES notation for 6-nitro-2-(2-phenylethenyl)quinoline?
The canonical SMILES for 6-nitro-2-(2-phenylethenyl)quinoline is O=[N+]([O-])c1ccc2nc(C=Cc3ccccc3)ccc2c1.
What is the InChIKey of 6-nitro-2-(2-phenylethenyl)quinoline?
The InChIKey is OMMUBFAYUSMXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-19(21)16-10-11-17-14(12-16)7-9-15(18-17)8-6-13-4-2-1-3-5-13/h1-12H.
What are the key properties of 6-nitro-2-(2-phenylethenyl)quinoline?
6-nitro-2-(2-phenylethenyl)quinoline has a molecular weight of 276.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-(2-phenylethenyl)quinoline is sourced from PubChem (CID 54158128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).