2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide

C15H23N3O — CID 79626505

IUPAC2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide
SMILESCC1Cc2ccccc2N(CC(C)(C)C(=O)NN)C1
InChIInChI=1S/C15H23N3O/c1-11-8-12-6-4-5-7-13(12)18(9-11)10-15(2,3)14(19)17-16/h4-7,11H,8-10,16H2,1-3H3,(H,17,19)
InChIKeyJKBTWEKJIPMEJI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.70
Rot. Bonds3

About 2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide

2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide (PubChem CID 79626505) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide
PubChem CID79626505
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide
SMILESCC1Cc2ccccc2N(CC(C)(C)C(=O)NN)C1
InChIInChI=1S/C15H23N3O/c1-11-8-12-6-4-5-7-13(12)18(9-11)10-15(2,3)14(19)17-16/h4-7,11H,8-10,16H2,1-3H3,(H,17,19)
InChIKeyJKBTWEKJIPMEJI-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide (CID 79626505) is 2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide is CC1Cc2ccccc2N(CC(C)(C)C(=O)NN)C1.
What is the InChIKey of 2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide?
The InChIKey is JKBTWEKJIPMEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-8-12-6-4-5-7-13(12)18(9-11)10-15(2,3)14(19)17-16/h4-7,11H,8-10,16H2,1-3H3,(H,17,19).
What are the key properties of 2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide?
2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide has a molecular weight of 261.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide is sourced from PubChem (CID 79626505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).