2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline

C12H16N2O — CID 3139698

IUPAC2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline
SMILESCC1CC(C)(C)Nc2ccc(N=O)cc21
InChIInChI=1S/C12H16N2O/c1-8-7-12(2,3)13-11-5-4-9(14-15)6-10(8)11/h4-6,8,13H,7H2,1-3H3
InChIKeyGDYNILYLBAKRLE-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.78
Rot. Bonds1

About 2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline

2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline (PubChem CID 3139698) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline
PubChem CID3139698
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline
SMILESCC1CC(C)(C)Nc2ccc(N=O)cc21
InChIInChI=1S/C12H16N2O/c1-8-7-12(2,3)13-11-5-4-9(14-15)6-10(8)11/h4-6,8,13H,7H2,1-3H3
InChIKeyGDYNILYLBAKRLE-UHFFFAOYSA-N
XLogP3.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline?
The IUPAC name of 2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline (CID 3139698) is 2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline?
The canonical SMILES for 2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline is CC1CC(C)(C)Nc2ccc(N=O)cc21.
What is the InChIKey of 2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline?
The InChIKey is GDYNILYLBAKRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-7-12(2,3)13-11-5-4-9(14-15)6-10(8)11/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline?
2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline has a molecular weight of 204.27 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-nitroso-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 3139698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).