2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide

C14H19N3O — CID 91670642

IUPAC2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide
SMILESCC1=CC(C)(C)Nc2c(C(=O)NN)cc(C)cc21
InChIInChI=1S/C14H19N3O/c1-8-5-10-9(2)7-14(3,4)16-12(10)11(6-8)13(18)17-15/h5-7,16H,15H2,1-4H3,(H,17,18)
InChIKeyRVAZCYLWCCJMBM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.21
Rot. Bonds1

About 2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide

2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide (PubChem CID 91670642) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide.

Molecular Properties

Compound Name2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide
PubChem CID91670642
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide
SMILESCC1=CC(C)(C)Nc2c(C(=O)NN)cc(C)cc21
InChIInChI=1S/C14H19N3O/c1-8-5-10-9(2)7-14(3,4)16-12(10)11(6-8)13(18)17-15/h5-7,16H,15H2,1-4H3,(H,17,18)
InChIKeyRVAZCYLWCCJMBM-UHFFFAOYSA-N
XLogP2.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide?
The IUPAC name of 2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide (CID 91670642) is 2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide.
What is the SMILES notation for 2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide?
The canonical SMILES for 2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide is CC1=CC(C)(C)Nc2c(C(=O)NN)cc(C)cc21.
What is the InChIKey of 2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide?
The InChIKey is RVAZCYLWCCJMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-8-5-10-9(2)7-14(3,4)16-12(10)11(6-8)13(18)17-15/h5-7,16H,15H2,1-4H3,(H,17,18).
What are the key properties of 2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide?
2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide has a molecular weight of 245.33 g/mol, XLogP of 2.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide is sourced from PubChem (CID 91670642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).