2-nitro-4-(2-phenylethenyl)quinoline

C17H12N2O2 — CID 57009793

IUPAC2-nitro-4-(2-phenylethenyl)quinoline
SMILESO=[N+]([O-])c1cc(C=Cc2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H12N2O2/c20-19(21)17-12-14(11-10-13-6-2-1-3-7-13)15-8-4-5-9-16(15)18-17/h1-12H
InChIKeyNZZRJTVNGCUSRS-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.31
Rot. Bonds3

About 2-nitro-4-(2-phenylethenyl)quinoline

2-nitro-4-(2-phenylethenyl)quinoline (PubChem CID 57009793) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-nitro-4-(2-phenylethenyl)quinoline.

Molecular Properties

Compound Name2-nitro-4-(2-phenylethenyl)quinoline
PubChem CID57009793
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name2-nitro-4-(2-phenylethenyl)quinoline
SMILESO=[N+]([O-])c1cc(C=Cc2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H12N2O2/c20-19(21)17-12-14(11-10-13-6-2-1-3-7-13)15-8-4-5-9-16(15)18-17/h1-12H
InChIKeyNZZRJTVNGCUSRS-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-(2-phenylethenyl)quinoline?
The IUPAC name of 2-nitro-4-(2-phenylethenyl)quinoline (CID 57009793) is 2-nitro-4-(2-phenylethenyl)quinoline.
What is the SMILES notation for 2-nitro-4-(2-phenylethenyl)quinoline?
The canonical SMILES for 2-nitro-4-(2-phenylethenyl)quinoline is O=[N+]([O-])c1cc(C=Cc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-nitro-4-(2-phenylethenyl)quinoline?
The InChIKey is NZZRJTVNGCUSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-19(21)17-12-14(11-10-13-6-2-1-3-7-13)15-8-4-5-9-16(15)18-17/h1-12H.
What are the key properties of 2-nitro-4-(2-phenylethenyl)quinoline?
2-nitro-4-(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 2-nitro-4-(2-phenylethenyl)quinoline is sourced from PubChem (CID 57009793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).