6-bromo-2-cyclopropylquinoline-4-carbohydrazide

C13H12BrN3O — CID 779890

IUPAC6-bromo-2-cyclopropylquinoline-4-carbohydrazide
SMILESNNC(=O)c1cc(C2CC2)nc2ccc(Br)cc12
InChIInChI=1S/C13H12BrN3O/c14-8-3-4-11-9(5-8)10(13(18)17-15)6-12(16-11)7-1-2-7/h3-7H,1-2,15H2,(H,17,18)
InChIKeyVNLSSYQCXNDMAT-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.48
Rot. Bonds2

About 6-bromo-2-cyclopropylquinoline-4-carbohydrazide

6-bromo-2-cyclopropylquinoline-4-carbohydrazide (PubChem CID 779890) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 6-bromo-2-cyclopropylquinoline-4-carbohydrazide.

Molecular Properties

Compound Name6-bromo-2-cyclopropylquinoline-4-carbohydrazide
PubChem CID779890
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name6-bromo-2-cyclopropylquinoline-4-carbohydrazide
SMILESNNC(=O)c1cc(C2CC2)nc2ccc(Br)cc12
InChIInChI=1S/C13H12BrN3O/c14-8-3-4-11-9(5-8)10(13(18)17-15)6-12(16-11)7-1-2-7/h3-7H,1-2,15H2,(H,17,18)
InChIKeyVNLSSYQCXNDMAT-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.48
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-bromo-2-cyclopropylquinoline-4-carbohydrazide?
The IUPAC name of 6-bromo-2-cyclopropylquinoline-4-carbohydrazide (CID 779890) is 6-bromo-2-cyclopropylquinoline-4-carbohydrazide.
What is the SMILES notation for 6-bromo-2-cyclopropylquinoline-4-carbohydrazide?
The canonical SMILES for 6-bromo-2-cyclopropylquinoline-4-carbohydrazide is NNC(=O)c1cc(C2CC2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-cyclopropylquinoline-4-carbohydrazide?
The InChIKey is VNLSSYQCXNDMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-8-3-4-11-9(5-8)10(13(18)17-15)6-12(16-11)7-1-2-7/h3-7H,1-2,15H2,(H,17,18).
What are the key properties of 6-bromo-2-cyclopropylquinoline-4-carbohydrazide?
6-bromo-2-cyclopropylquinoline-4-carbohydrazide has a molecular weight of 306.16 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropylquinoline-4-carbohydrazide is sourced from PubChem (CID 779890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).