2,4-dimethylquinoline-3-carbohydrazide

C12H13N3O — CID 3811999

IUPAC2,4-dimethylquinoline-3-carbohydrazide
SMILESCc1nc2ccccc2c(C)c1C(=O)NN
InChIInChI=1S/C12H13N3O/c1-7-9-5-3-4-6-10(9)14-8(2)11(7)12(16)15-13/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyUZKUOZHMAUHXBO-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.46
Rot. Bonds1

About 2,4-dimethylquinoline-3-carbohydrazide

2,4-dimethylquinoline-3-carbohydrazide (PubChem CID 3811999) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2,4-dimethylquinoline-3-carbohydrazide.

Molecular Properties

Compound Name2,4-dimethylquinoline-3-carbohydrazide
PubChem CID3811999
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2,4-dimethylquinoline-3-carbohydrazide
SMILESCc1nc2ccccc2c(C)c1C(=O)NN
InChIInChI=1S/C12H13N3O/c1-7-9-5-3-4-6-10(9)14-8(2)11(7)12(16)15-13/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyUZKUOZHMAUHXBO-UHFFFAOYSA-N
XLogP1.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.46
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

N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide
CID 9046354
N,N,2,4-tetramethylquinoline-3-carboxamide
CID 30331894
N,N-diethyl-2,4-dimethylquinoline-3-carboxamide
CID 10824990
1-(2,4-dimethylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 139234339
N-[(2S,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2,4-dimethylquinoline-3-carboxamide
CID 129432534
N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-2,4-dimethylquinoline-3-carboxamide
CID 129432532
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 8966624
(2,4-dimethylquinolin-3-yl)-diphenylphosphanylmethanone
CID 146222060
(4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone
CID 2439813
2,3-dimethylquinoline-4-carbothioamide
CID 13245257
N-(2,3-dihydro-1H-inden-5-yl)-2,4-dimethylquinoline-3-carboxamide
CID 9047175
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825008

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylquinoline-3-carbohydrazide?
The IUPAC name of 2,4-dimethylquinoline-3-carbohydrazide (CID 3811999) is 2,4-dimethylquinoline-3-carbohydrazide.
What is the SMILES notation for 2,4-dimethylquinoline-3-carbohydrazide?
The canonical SMILES for 2,4-dimethylquinoline-3-carbohydrazide is Cc1nc2ccccc2c(C)c1C(=O)NN.
What is the InChIKey of 2,4-dimethylquinoline-3-carbohydrazide?
The InChIKey is UZKUOZHMAUHXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-9-5-3-4-6-10(9)14-8(2)11(7)12(16)15-13/h3-6H,13H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dimethylquinoline-3-carbohydrazide?
2,4-dimethylquinoline-3-carbohydrazide has a molecular weight of 215.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylquinoline-3-carbohydrazide is sourced from PubChem (CID 3811999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).