2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline

C17H11ClN2O2 — CID 6024617

IUPAC2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline
SMILESO=[N+]([O-])c1cccc2ccc(/C=C/c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H11ClN2O2/c18-14-8-4-12(5-9-14)6-10-15-11-7-13-2-1-3-16(20(21)22)17(13)19-15/h1-11H/b10-6+
InChIKeyDZIUVPVDOPRAQK-UXBLZVDNSA-N
MW310.74 g/mol
LogP4.97
Rot. Bonds3

About 2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline

2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline (PubChem CID 6024617) has the molecular formula C17H11ClN2O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline
PubChem CID6024617
Molecular FormulaC17H11ClN2O2
Molecular Weight310.74 g/mol
Exact Mass310.05
IUPAC Name2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline
SMILESO=[N+]([O-])c1cccc2ccc(/C=C/c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H11ClN2O2/c18-14-8-4-12(5-9-14)6-10-15-11-7-13-2-1-3-16(20(21)22)17(13)19-15/h1-11H/b10-6+
InChIKeyDZIUVPVDOPRAQK-UXBLZVDNSA-N
XLogP4.97
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.97
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 2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline (CID 6024617) is 2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline is O=[N+]([O-])c1cccc2ccc(/C=C/c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline?
The InChIKey is DZIUVPVDOPRAQK-UXBLZVDNSA-N. The full InChI is InChI=1S/C17H11ClN2O2/c18-14-8-4-12(5-9-14)6-10-15-11-7-13-2-1-3-16(20(21)22)17(13)19-15/h1-11H/b10-6+.
What are the key properties of 2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline?
2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline has a molecular weight of 310.74 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-chlorophenyl)ethenyl]-8-nitroquinoline is sourced from PubChem (CID 6024617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).