2,4-dimethyl-8-nitroquinoline

C11H10N2O2 — CID 608736

IUPAC2,4-dimethyl-8-nitroquinoline
SMILESCc1cc(C)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C11H10N2O2/c1-7-6-8(2)12-11-9(7)4-3-5-10(11)13(14)15/h3-6H,1-2H3
InChIKeyACDJJRZSUBAOSM-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.76
Rot. Bonds1

About 2,4-dimethyl-8-nitroquinoline

2,4-dimethyl-8-nitroquinoline (PubChem CID 608736) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2,4-dimethyl-8-nitroquinoline.

Molecular Properties

Compound Name2,4-dimethyl-8-nitroquinoline
PubChem CID608736
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2,4-dimethyl-8-nitroquinoline
SMILESCc1cc(C)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C11H10N2O2/c1-7-6-8(2)12-11-9(7)4-3-5-10(11)13(14)15/h3-6H,1-2H3
InChIKeyACDJJRZSUBAOSM-UHFFFAOYSA-N
XLogP2.76
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.76
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 2,4-dimethyl-8-nitroquinoline?
The IUPAC name of 2,4-dimethyl-8-nitroquinoline (CID 608736) is 2,4-dimethyl-8-nitroquinoline.
What is the SMILES notation for 2,4-dimethyl-8-nitroquinoline?
The canonical SMILES for 2,4-dimethyl-8-nitroquinoline is Cc1cc(C)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2,4-dimethyl-8-nitroquinoline?
The InChIKey is ACDJJRZSUBAOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-6-8(2)12-11-9(7)4-3-5-10(11)13(14)15/h3-6H,1-2H3.
What are the key properties of 2,4-dimethyl-8-nitroquinoline?
2,4-dimethyl-8-nitroquinoline has a molecular weight of 202.21 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-8-nitroquinoline is sourced from PubChem (CID 608736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).