6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide

C15H19N3O — CID 82448767

IUPAC6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide
SMILESCc1cc2nc(C(C)C)cc(C(=O)NN)c2cc1C
InChIInChI=1S/C15H19N3O/c1-8(2)13-7-12(15(19)18-16)11-5-9(3)10(4)6-14(11)17-13/h5-8H,16H2,1-4H3,(H,18,19)
InChIKeyUBZZLMBZNADPDM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.58
Rot. Bonds2

About 6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide

6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide (PubChem CID 82448767) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound Name6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide
PubChem CID82448767
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide
SMILESCc1cc2nc(C(C)C)cc(C(=O)NN)c2cc1C
InChIInChI=1S/C15H19N3O/c1-8(2)13-7-12(15(19)18-16)11-5-9(3)10(4)6-14(11)17-13/h5-8H,16H2,1-4H3,(H,18,19)
InChIKeyUBZZLMBZNADPDM-UHFFFAOYSA-N
XLogP2.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.58
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 6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide?
The IUPAC name of 6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide (CID 82448767) is 6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide.
What is the SMILES notation for 6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide?
The canonical SMILES for 6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide is Cc1cc2nc(C(C)C)cc(C(=O)NN)c2cc1C.
What is the InChIKey of 6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide?
The InChIKey is UBZZLMBZNADPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-8(2)13-7-12(15(19)18-16)11-5-9(3)10(4)6-14(11)17-13/h5-8H,16H2,1-4H3,(H,18,19).
What are the key properties of 6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide?
6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide has a molecular weight of 257.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-propan-2-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 82448767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).