2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline

C19H16N2O4 — CID 9447543

IUPAC2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline
SMILESCOc1ccc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)c(OC)c1
InChIInChI=1S/C19H16N2O4/c1-24-15-10-7-13(19(12-15)25-2)6-8-14-9-11-16-17(20-14)4-3-5-18(16)21(22)23/h3-12H,1-2H3/b8-6+
InChIKeyUYAOSQBHTBXVFG-SOFGYWHQSA-N
MW336.35 g/mol
LogP4.33
Rot. Bonds5

About 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline

2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline (PubChem CID 9447543) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline.

Molecular Properties

Compound Name2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline
PubChem CID9447543
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline
SMILESCOc1ccc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)c(OC)c1
InChIInChI=1S/C19H16N2O4/c1-24-15-10-7-13(19(12-15)25-2)6-8-14-9-11-16-17(20-14)4-3-5-18(16)21(22)23/h3-12H,1-2H3/b8-6+
InChIKeyUYAOSQBHTBXVFG-SOFGYWHQSA-N
XLogP4.33
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.33
H-Bond Donors ≤ 50
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

2-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]ethenyl]-5-nitroquinoline
CID 5145871
2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline
CID 6185582
2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol
CID 135557857
5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline
CID 3395564
2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-5-nitroquinoline
CID 9447581
1-[2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitrobenzene
CID 4178347
5-nitro-2-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline
CID 3671675
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3,5-trinitrobenzene
CID 154881687
2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitroquinoline
CID 9447549
2-[2-(4-methylsulfanylphenyl)ethenyl]-5-nitroquinoline
CID 3451243
2-[2-(4-butoxy-3-ethoxyphenyl)ethenyl]-5-nitroquinoline
CID 5032950
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 7528482

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline?
The IUPAC name of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline (CID 9447543) is 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline.
What is the SMILES notation for 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline?
The canonical SMILES for 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline is COc1ccc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)c(OC)c1.
What is the InChIKey of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline?
The InChIKey is UYAOSQBHTBXVFG-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-15-10-7-13(19(12-15)25-2)6-8-14-9-11-16-17(20-14)4-3-5-18(16)21(22)23/h3-12H,1-2H3/b8-6+.
What are the key properties of 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline?
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline has a molecular weight of 336.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline is sourced from PubChem (CID 9447543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).