6-nitro-2,4-diphenylquinoline

C21H14N2O2 — CID 629840

IUPAC6-nitro-2,4-diphenylquinoline
SMILESO=[N+]([O-])c1ccc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C21H14N2O2/c24-23(25)17-11-12-20-19(13-17)18(15-7-3-1-4-8-15)14-21(22-20)16-9-5-2-6-10-16/h1-14H
InChIKeyLXGCTGNEHPKAOP-UHFFFAOYSA-N
MW326.36 g/mol
LogP5.48
Rot. Bonds3

About 6-nitro-2,4-diphenylquinoline

6-nitro-2,4-diphenylquinoline (PubChem CID 629840) has the molecular formula C21H14N2O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-nitro-2,4-diphenylquinoline.

Molecular Properties

Compound Name6-nitro-2,4-diphenylquinoline
PubChem CID629840
Molecular FormulaC21H14N2O2
Molecular Weight326.36 g/mol
Exact Mass326.11
IUPAC Name6-nitro-2,4-diphenylquinoline
SMILESO=[N+]([O-])c1ccc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C21H14N2O2/c24-23(25)17-11-12-20-19(13-17)18(15-7-3-1-4-8-15)14-21(22-20)16-9-5-2-6-10-16/h1-14H
InChIKeyLXGCTGNEHPKAOP-UHFFFAOYSA-N
XLogP5.48
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.36
LogP ≤ 55.48
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

CID 9215
CID 9215
CID 9181
CID 9181
CID 71545
CID 71545
CID 69172
CID 69172
CID 5376617
CID 5376617
CID 9180
CID 9180
CID 11913
CID 11913
CID 53312
CID 53312
CID 5357469
CID 5357469
CID 47484
CID 47484
CID 11384
CID 11384
CID 53323
CID 53323

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2,4-diphenylquinoline?
The IUPAC name of 6-nitro-2,4-diphenylquinoline (CID 629840) is 6-nitro-2,4-diphenylquinoline.
What is the SMILES notation for 6-nitro-2,4-diphenylquinoline?
The canonical SMILES for 6-nitro-2,4-diphenylquinoline is O=[N+]([O-])c1ccc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-nitro-2,4-diphenylquinoline?
The InChIKey is LXGCTGNEHPKAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O2/c24-23(25)17-11-12-20-19(13-17)18(15-7-3-1-4-8-15)14-21(22-20)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 6-nitro-2,4-diphenylquinoline?
6-nitro-2,4-diphenylquinoline has a molecular weight of 326.36 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2,4-diphenylquinoline is sourced from PubChem (CID 629840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).