2,4-dimethoxy-5-methyl-8-nitroquinoline

C12H12N2O4 — CID 70164477

IUPAC2,4-dimethoxy-5-methyl-8-nitroquinoline
SMILESCOc1cc(OC)c2c(C)ccc([N+](=O)[O-])c2n1
InChIInChI=1S/C12H12N2O4/c1-7-4-5-8(14(15)16)12-11(7)9(17-2)6-10(13-12)18-3/h4-6H,1-3H3
InChIKeyZNHUBJAGXQCANA-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.47
Rot. Bonds3

About 2,4-dimethoxy-5-methyl-8-nitroquinoline

2,4-dimethoxy-5-methyl-8-nitroquinoline (PubChem CID 70164477) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2,4-dimethoxy-5-methyl-8-nitroquinoline.

Molecular Properties

Compound Name2,4-dimethoxy-5-methyl-8-nitroquinoline
PubChem CID70164477
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2,4-dimethoxy-5-methyl-8-nitroquinoline
SMILESCOc1cc(OC)c2c(C)ccc([N+](=O)[O-])c2n1
InChIInChI=1S/C12H12N2O4/c1-7-4-5-8(14(15)16)12-11(7)9(17-2)6-10(13-12)18-3/h4-6H,1-3H3
InChIKeyZNHUBJAGXQCANA-UHFFFAOYSA-N
XLogP2.47
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-chloro-2-methoxy-5-methyl-8-nitroquinoline
CID 67077345
2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline
CID 50993521
2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 11058632
8-methoxy-3-methyl-5-nitroquinolin-2-amine
CID 63231551
5-fluoro-2-methoxy-8-nitroquinoline
CID 86241718
(3,4-dimethoxyphenyl)-(4-methyl-3-nitrophenyl)methanol
CID 91678407
4-chloro-5-methoxy-8-nitroquinoline
CID 19592414
CID 157299402
CID 157299402
5,7-dimethoxy-2-(4-methyl-3-nitrophenyl)quinoline-4-carboxylic acid
CID 18073695
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene
CID 11000537
7-methoxy-6-nitrochromen-2-one
CID 10656586

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-methyl-8-nitroquinoline?
The IUPAC name of 2,4-dimethoxy-5-methyl-8-nitroquinoline (CID 70164477) is 2,4-dimethoxy-5-methyl-8-nitroquinoline.
What is the SMILES notation for 2,4-dimethoxy-5-methyl-8-nitroquinoline?
The canonical SMILES for 2,4-dimethoxy-5-methyl-8-nitroquinoline is COc1cc(OC)c2c(C)ccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2,4-dimethoxy-5-methyl-8-nitroquinoline?
The InChIKey is ZNHUBJAGXQCANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7-4-5-8(14(15)16)12-11(7)9(17-2)6-10(13-12)18-3/h4-6H,1-3H3.
What are the key properties of 2,4-dimethoxy-5-methyl-8-nitroquinoline?
2,4-dimethoxy-5-methyl-8-nitroquinoline has a molecular weight of 248.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-methyl-8-nitroquinoline is sourced from PubChem (CID 70164477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).