N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide

C12H17N3O — CID 83022374

IUPACN',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
SMILESCN(C)NC(=O)C1CCNc2ccccc21
InChIInChI=1S/C12H17N3O/c1-15(2)14-12(16)10-7-8-13-11-6-4-3-5-9(10)11/h3-6,10,13H,7-8H2,1-2H3,(H,14,16)
InChIKeyTXSLUQZWMMMSKB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.18
Rot. Bonds2

About N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide

N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide (PubChem CID 83022374) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
PubChem CID83022374
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
SMILESCN(C)NC(=O)C1CCNc2ccccc21
InChIInChI=1S/C12H17N3O/c1-15(2)14-12(16)10-7-8-13-11-6-4-3-5-9(10)11/h3-6,10,13H,7-8H2,1-2H3,(H,14,16)
InChIKeyTXSLUQZWMMMSKB-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide?
The IUPAC name of N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide (CID 83022374) is N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide.
What is the SMILES notation for N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide?
The canonical SMILES for N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide is CN(C)NC(=O)C1CCNc2ccccc21.
What is the InChIKey of N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide?
The InChIKey is TXSLUQZWMMMSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(2)14-12(16)10-7-8-13-11-6-4-3-5-9(10)11/h3-6,10,13H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide?
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide has a molecular weight of 219.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide is sourced from PubChem (CID 83022374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).