4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline

C16H11N3O2 — CID 21118397

IUPAC4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline
SMILESO=[N+]([O-])c1cccc(/C=C/c2cnnc3ccccc23)c1
InChIInChI=1S/C16H11N3O2/c20-19(21)14-5-3-4-12(10-14)8-9-13-11-17-18-16-7-2-1-6-15(13)16/h1-11H/b9-8+
InChIKeyACOHLVVMLNSRSQ-CMDGGOBGSA-N
MW277.28 g/mol
LogP3.71
Rot. Bonds3

About 4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline

4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline (PubChem CID 21118397) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline.

Molecular Properties

Compound Name4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline
PubChem CID21118397
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline
SMILESO=[N+]([O-])c1cccc(/C=C/c2cnnc3ccccc23)c1
InChIInChI=1S/C16H11N3O2/c20-19(21)14-5-3-4-12(10-14)8-9-13-11-17-18-16-7-2-1-6-15(13)16/h1-11H/b9-8+
InChIKeyACOHLVVMLNSRSQ-CMDGGOBGSA-N
XLogP3.71
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.71
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'}

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Related Compounds

1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene
CID 100934830
1-methyl-4-[2-(3-nitrophenyl)ethenyl]cinnolin-1-ium
CID 54157738
3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 5378684
12-[(E)-2-(3-nitrophenyl)ethenyl]benzo[a]acridine
CID 6526683
3-ethyl-2-[2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 629407
2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline
CID 5298402
7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine
CID 6526686
2-nitro-4-(2-phenylethenyl)quinoline
CID 57009793
2-[(E)-2-(3-nitrophenyl)ethenyl]-3-pyridin-3-ylquinazolin-4-one
CID 6165799
2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazole
CID 3408121
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline?
The IUPAC name of 4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline (CID 21118397) is 4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline.
What is the SMILES notation for 4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline?
The canonical SMILES for 4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline is O=[N+]([O-])c1cccc(/C=C/c2cnnc3ccccc23)c1.
What is the InChIKey of 4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline?
The InChIKey is ACOHLVVMLNSRSQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-19(21)14-5-3-4-12(10-14)8-9-13-11-17-18-16-7-2-1-6-15(13)16/h1-11H/b9-8+.
What are the key properties of 4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline?
4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline has a molecular weight of 277.28 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline is sourced from PubChem (CID 21118397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).