2-(2-methylpropyl)quinoline-4-carbohydrazide

C14H17N3O — CID 4167752

IUPAC2-(2-methylpropyl)quinoline-4-carbohydrazide
SMILESCC(C)Cc1cc(C(=O)NN)c2ccccc2n1
InChIInChI=1S/C14H17N3O/c1-9(2)7-10-8-12(14(18)17-15)11-5-3-4-6-13(11)16-10/h3-6,8-9H,7,15H2,1-2H3,(H,17,18)
InChIKeyDPQRSHMFGGQXEF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.04
Rot. Bonds3

About 2-(2-methylpropyl)quinoline-4-carbohydrazide

2-(2-methylpropyl)quinoline-4-carbohydrazide (PubChem CID 4167752) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2-methylpropyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(2-methylpropyl)quinoline-4-carbohydrazide
PubChem CID4167752
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(2-methylpropyl)quinoline-4-carbohydrazide
SMILESCC(C)Cc1cc(C(=O)NN)c2ccccc2n1
InChIInChI=1S/C14H17N3O/c1-9(2)7-10-8-12(14(18)17-15)11-5-3-4-6-13(11)16-10/h3-6,8-9H,7,15H2,1-2H3,(H,17,18)
InChIKeyDPQRSHMFGGQXEF-UHFFFAOYSA-N
XLogP2.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.04
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-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
CID 123132663
N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide
CID 765637
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
CID 163088809
2-(2-methylpropyl)-4-propan-2-ylquinoline
CID 175426775
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide
CID 5404855
2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide
CID 25218964
2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
CID 63002970
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
N-[2-(dimethylamino)propyl]-2-hydrazinylquinoline-4-carboxamide
CID 62247663
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide
CID 65053035

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(2-methylpropyl)quinoline-4-carbohydrazide (CID 4167752) is 2-(2-methylpropyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(2-methylpropyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(2-methylpropyl)quinoline-4-carbohydrazide is CC(C)Cc1cc(C(=O)NN)c2ccccc2n1.
What is the InChIKey of 2-(2-methylpropyl)quinoline-4-carbohydrazide?
The InChIKey is DPQRSHMFGGQXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(2)7-10-8-12(14(18)17-15)11-5-3-4-6-13(11)16-10/h3-6,8-9H,7,15H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-methylpropyl)quinoline-4-carbohydrazide?
2-(2-methylpropyl)quinoline-4-carbohydrazide has a molecular weight of 243.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 4167752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).