2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide

C16H25N3O — CID 132649720

IUPAC2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide
SMILESCCC(C(=O)NN)N1c2ccccc2C(C)CC1(C)C
InChIInChI=1S/C16H25N3O/c1-5-13(15(20)18-17)19-14-9-7-6-8-12(14)11(2)10-16(19,3)4/h6-9,11,13H,5,10,17H2,1-4H3,(H,18,20)
InChIKeyOUEUJBBECLCHNL-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.55
Rot. Bonds3

About 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide

2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide (PubChem CID 132649720) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide.

Molecular Properties

Compound Name2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide
PubChem CID132649720
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide
SMILESCCC(C(=O)NN)N1c2ccccc2C(C)CC1(C)C
InChIInChI=1S/C16H25N3O/c1-5-13(15(20)18-17)19-14-9-7-6-8-12(14)11(2)10-16(19,3)4/h6-9,11,13H,5,10,17H2,1-4H3,(H,18,20)
InChIKeyOUEUJBBECLCHNL-UHFFFAOYSA-N
XLogP2.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
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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Related Compounds

(2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide
CID 125044444
1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate
CID 3017456
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide
CID 132649450
2-(2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl)pentanehydrazide
CID 132650229
1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol
CID 23368968
2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)hexanehydrazide
CID 132651833
(2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide
CID 125044610
(2S)-2-[(4R)-7-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]propanehydrazide
CID 125047320
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 125044392
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate
CID 20695985
phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
CID 903985
[1-oxo-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-2-yl] acetate
CID 19690328

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide?
The IUPAC name of 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide (CID 132649720) is 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide.
What is the SMILES notation for 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide?
The canonical SMILES for 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide is CCC(C(=O)NN)N1c2ccccc2C(C)CC1(C)C.
What is the InChIKey of 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide?
The InChIKey is OUEUJBBECLCHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-13(15(20)18-17)19-14-9-7-6-8-12(14)11(2)10-16(19,3)4/h6-9,11,13H,5,10,17H2,1-4H3,(H,18,20).
What are the key properties of 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide?
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide has a molecular weight of 275.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide is sourced from PubChem (CID 132649720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).