2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline

C19H16N2O2 — CID 6185582

IUPAC2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline
SMILESCc1ccc(C)c(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)c1
InChIInChI=1S/C19H16N2O2/c1-13-6-7-14(2)15(12-13)8-9-16-10-11-17-18(20-16)4-3-5-19(17)21(22)23/h3-12H,1-2H3/b9-8+
InChIKeyBMLWNDVPEIEZAJ-CMDGGOBGSA-N
MW304.35 g/mol
LogP4.93
Rot. Bonds3

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

2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline (PubChem CID 6185582) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline.

Molecular Properties

Compound Name2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline
PubChem CID6185582
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline
SMILESCc1ccc(C)c(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)c1
InChIInChI=1S/C19H16N2O2/c1-13-6-7-14(2)15(12-13)8-9-16-10-11-17-18(20-16)4-3-5-19(17)21(22)23/h3-12H,1-2H3/b9-8+
InChIKeyBMLWNDVPEIEZAJ-CMDGGOBGSA-N
XLogP4.93
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.93
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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Related Compounds

2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitroquinoline
CID 9447549
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline
CID 9447543
5-nitro-2-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline
CID 3671675
2-[2-(4-methylsulfanylphenyl)ethenyl]-5-nitroquinoline
CID 3451243
5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline
CID 3395564
2-[2-(4-butoxy-3-ethoxyphenyl)ethenyl]-5-nitroquinoline
CID 5032950
2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol
CID 135557857
2-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]ethenyl]-5-nitroquinoline
CID 5145871
2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-5-nitroquinoline
CID 9447581
2-[2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]-5-nitroquinoline
CID 3876576
6-methyl-2-[2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
CID 4736351
2-[2-(2,5-dimethylphenyl)ethenyl]-6-nitro-1,3-benzothiazole
CID 5034143

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline?
The IUPAC name of 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline (CID 6185582) is 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline.
What is the SMILES notation for 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline?
The canonical SMILES for 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline is Cc1ccc(C)c(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)c1.
What is the InChIKey of 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline?
The InChIKey is BMLWNDVPEIEZAJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13-6-7-14(2)15(12-13)8-9-16-10-11-17-18(20-16)4-3-5-19(17)21(22)23/h3-12H,1-2H3/b9-8+.
What are the key properties of 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline?
2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline has a molecular weight of 304.35 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline is sourced from PubChem (CID 6185582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).