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

C14H21N3O — CID 132649450

IUPAC2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide
SMILESCC1CC(C)(C)N(CC(=O)NN)c2ccccc21
InChIInChI=1S/C14H21N3O/c1-10-8-14(2,3)17(9-13(18)16-15)12-7-5-4-6-11(10)12/h4-7,10H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyQHJTXOFBDYCBCH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.77
Rot. Bonds2

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

2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide (PubChem CID 132649450) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide
PubChem CID132649450
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide
SMILESCC1CC(C)(C)N(CC(=O)NN)c2ccccc21
InChIInChI=1S/C14H21N3O/c1-10-8-14(2,3)17(9-13(18)16-15)12-7-5-4-6-11(10)12/h4-7,10H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyQHJTXOFBDYCBCH-UHFFFAOYSA-N
XLogP1.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.77
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

2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate
CID 20695985
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butanehydrazide
CID 132649720
phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
CID 903985
methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
CID 132649714
1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol
CID 23368968
2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid
CID 133219815
4-chloro-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)butan-1-one
CID 132649789
2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
CID 1459384
(4S)-N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide
CID 737950
2,2,4-trimethyl-1-(2-phenylmethoxyethyl)-3,4-dihydroquinoline
CID 21407626
1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl acetate
CID 3017456
(2-fluorophenyl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone
CID 3102163

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide?
The IUPAC name of 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide (CID 132649450) is 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide?
The canonical SMILES for 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide is CC1CC(C)(C)N(CC(=O)NN)c2ccccc21.
What is the InChIKey of 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide?
The InChIKey is QHJTXOFBDYCBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-14(2,3)17(9-13(18)16-15)12-7-5-4-6-11(10)12/h4-7,10H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide?
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide has a molecular weight of 247.34 g/mol, XLogP of 1.77, 2 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)acetohydrazide is sourced from PubChem (CID 132649450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).