2,4,8-trimethyl-7-nitroquinoline

C12H12N2O2 — CID 71342477

IUPAC2,4,8-trimethyl-7-nitroquinoline
SMILESCc1cc(C)c2ccc([N+](=O)[O-])c(C)c2n1
InChIInChI=1S/C12H12N2O2/c1-7-6-8(2)13-12-9(3)11(14(15)16)5-4-10(7)12/h4-6H,1-3H3
InChIKeyXWYCMGLARBKKAH-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.07
Rot. Bonds1

About 2,4,8-trimethyl-7-nitroquinoline

2,4,8-trimethyl-7-nitroquinoline (PubChem CID 71342477) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2,4,8-trimethyl-7-nitroquinoline.

Molecular Properties

Compound Name2,4,8-trimethyl-7-nitroquinoline
PubChem CID71342477
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2,4,8-trimethyl-7-nitroquinoline
SMILESCc1cc(C)c2ccc([N+](=O)[O-])c(C)c2n1
InChIInChI=1S/C12H12N2O2/c1-7-6-8(2)13-12-9(3)11(14(15)16)5-4-10(7)12/h4-6H,1-3H3
InChIKeyXWYCMGLARBKKAH-UHFFFAOYSA-N
XLogP3.07
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.07
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

2,4-dimethyl-8,9-dinitrobenzo[h]quinoline
CID 21159480
2,4-dimethyl-8-nitroquinoline
CID 608736
2,4-dimethyl-8-(2-nitrophenyl)quinoline
CID 10891176
2-methyl-5-nitroquinolin-8-amine
CID 114289442
4-chloro-8-methyl-7-nitroquinoline
CID 10242674
5,6-dichloro-2-methyl-8-nitroquinoline
CID 138490128
2-bromo-4-methyl-5-nitro-1,3-benzothiazole
CID 54200701
2-(chloromethyl)-4-methyl-5-nitro-1H-benzimidazole
CID 130053119
4-amino-2-methyl-5-nitroquinolin-8-ol
CID 69366706
4-methyl-5-nitro-1H-benzimidazol-2-amine
CID 18400140
2-chloro-1,4-dimethyl-5-nitrobenzimidazole
CID 168827001
N-(2,4-dimethylphenyl)-2,7,8-trimethyl-5-nitroquinolin-4-amine
CID 46497719

Frequently Asked Questions

What is the IUPAC name of 2,4,8-trimethyl-7-nitroquinoline?
The IUPAC name of 2,4,8-trimethyl-7-nitroquinoline (CID 71342477) is 2,4,8-trimethyl-7-nitroquinoline.
What is the SMILES notation for 2,4,8-trimethyl-7-nitroquinoline?
The canonical SMILES for 2,4,8-trimethyl-7-nitroquinoline is Cc1cc(C)c2ccc([N+](=O)[O-])c(C)c2n1.
What is the InChIKey of 2,4,8-trimethyl-7-nitroquinoline?
The InChIKey is XWYCMGLARBKKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-6-8(2)13-12-9(3)11(14(15)16)5-4-10(7)12/h4-6H,1-3H3.
What are the key properties of 2,4,8-trimethyl-7-nitroquinoline?
2,4,8-trimethyl-7-nitroquinoline has a molecular weight of 216.24 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trimethyl-7-nitroquinoline is sourced from PubChem (CID 71342477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).