2,6-Dimethyl-5-nitroquinoline

HCID 766565

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc2c([N+](=O)[O-])c(C)ccc2n1
InChIKey: ZWAMWICAXFZCII-UHFFFAOYSA-N
Molecular formula: C11H10N2O2
Average molar mass: 202.21 g/mol

Names & identifiers

Preferred name: 2,6-Dimethyl-5-nitroquinoline
IUPAC: 2,6-dimethyl-5-nitroquinoline

Names & synonyms

2,6-dimethyl-5-nitroquinoline312913-60-32,6-dimethyl-5-nitro-quinolineCambridge id 5121775Oprea1_036382Oprea1_083589CBDivE_001200MLS0005754785-nitro-2,6-dimethylquinolineSCHEMBL1225832CHEMBL1301395ZWAMWICAXFZCII-UHFFFAOYSA-N

Show more names

HMS2356K06STK251712AKOS001582140SMR000184728CS-0333139AH-034/11365807SR-01000395954SR-01000395954-1

Database identifiers

PubChem CID: 766565
ChEMBL: CHEMBL1301395

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 251

Related reactions

8 records

New reaction record

HRID 89960As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 808837As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1228364As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2055013As productuspto-grants-2008_02

HRID 2088469As productuspto-grants-2013_05

HRID 2088470As reactantuspto-grants-2013_05

HRID 2182732As productuspto-grants-2005_05

HRID 2215472As productuspto-grants-2006_09

Compound notes

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