2-(2,4-dichlorophenyl)-4-nitroquinoline

C15H8Cl2N2O2 — CID 101421541

IUPAC2-(2,4-dichlorophenyl)-4-nitroquinoline
SMILESO=[N+]([O-])c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C15H8Cl2N2O2/c16-9-5-6-10(12(17)7-9)14-8-15(19(20)21)11-3-1-2-4-13(11)18-14/h1-8H
InChIKeyAGVIYLFIHCQDFD-UHFFFAOYSA-N
MW319.15 g/mol
LogP5.12
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-4-nitroquinoline

2-(2,4-dichlorophenyl)-4-nitroquinoline (PubChem CID 101421541) has the molecular formula C15H8Cl2N2O2 and a molecular weight of 319.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-nitroquinoline.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-nitroquinoline
PubChem CID101421541
Molecular FormulaC15H8Cl2N2O2
Molecular Weight319.15 g/mol
Exact Mass318.00
IUPAC Name2-(2,4-dichlorophenyl)-4-nitroquinoline
SMILESO=[N+]([O-])c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C15H8Cl2N2O2/c16-9-5-6-10(12(17)7-9)14-8-15(19(20)21)11-3-1-2-4-13(11)18-14/h1-8H
InChIKeyAGVIYLFIHCQDFD-UHFFFAOYSA-N
XLogP5.12
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.15
LogP ≤ 55.12
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-(2,4-dichlorophenyl)-4-nitroquinoline?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-nitroquinoline (CID 101421541) is 2-(2,4-dichlorophenyl)-4-nitroquinoline.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-nitroquinoline?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-nitroquinoline is O=[N+]([O-])c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-nitroquinoline?
The InChIKey is AGVIYLFIHCQDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O2/c16-9-5-6-10(12(17)7-9)14-8-15(19(20)21)11-3-1-2-4-13(11)18-14/h1-8H.
What are the key properties of 2-(2,4-dichlorophenyl)-4-nitroquinoline?
2-(2,4-dichlorophenyl)-4-nitroquinoline has a molecular weight of 319.15 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-nitroquinoline is sourced from PubChem (CID 101421541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).