(6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine

C14H16BrN3 — CID 107579034

IUPAC(6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine
SMILESCc1cc2nc(C3CC3)cc(NN)c2c(C)c1Br
InChIInChI=1S/C14H16BrN3/c1-7-5-11-13(8(2)14(7)15)12(18-16)6-10(17-11)9-3-4-9/h5-6,9H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyHJRTYNIABNBRIU-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.78
Rot. Bonds2

About (6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine

(6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine (PubChem CID 107579034) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is (6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine
PubChem CID107579034
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name(6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine
SMILESCc1cc2nc(C3CC3)cc(NN)c2c(C)c1Br
InChIInChI=1S/C14H16BrN3/c1-7-5-11-13(8(2)14(7)15)12(18-16)6-10(17-11)9-3-4-9/h5-6,9H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyHJRTYNIABNBRIU-UHFFFAOYSA-N
XLogP3.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine?
The IUPAC name of (6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine (CID 107579034) is (6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine.
What is the SMILES notation for (6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine?
The canonical SMILES for (6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine is Cc1cc2nc(C3CC3)cc(NN)c2c(C)c1Br.
What is the InChIKey of (6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine?
The InChIKey is HJRTYNIABNBRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-7-5-11-13(8(2)14(7)15)12(18-16)6-10(17-11)9-3-4-9/h5-6,9H,3-4,16H2,1-2H3,(H,17,18).
What are the key properties of (6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine?
(6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine has a molecular weight of 306.21 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine is sourced from PubChem (CID 107579034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).