(8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine

C12H13BrFN3 — CID 107629164

IUPAC(8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine
SMILESCC(C)c1cc(NN)c2c(F)ccc(Br)c2n1
InChIInChI=1S/C12H13BrFN3/c1-6(2)9-5-10(17-15)11-8(14)4-3-7(13)12(11)16-9/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyJBXCMSQECIBACL-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.55
Rot. Bonds2

About (8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine

(8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine (PubChem CID 107629164) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is (8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine
PubChem CID107629164
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name(8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine
SMILESCC(C)c1cc(NN)c2c(F)ccc(Br)c2n1
InChIInChI=1S/C12H13BrFN3/c1-6(2)9-5-10(17-15)11-8(14)4-3-7(13)12(11)16-9/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyJBXCMSQECIBACL-UHFFFAOYSA-N
XLogP3.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.55
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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Related Compounds

(5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62250056
(5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62812079
(5,6,7-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62812771
5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine
CID 63480185
(5,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine
CID 55050910
N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine
CID 63479612
[5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine
CID 62891261
8-bromo-5-fluoro-2,4-dimethylquinoline
CID 46236379
(5-fluoro-2,8-dimethylquinolin-4-yl)hydrazine
CID 62250422
(6-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62251317
8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine
CID 107628929
(8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62250595

Frequently Asked Questions

What is the IUPAC name of (8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine?
The IUPAC name of (8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine (CID 107629164) is (8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine.
What is the SMILES notation for (8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine?
The canonical SMILES for (8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine is CC(C)c1cc(NN)c2c(F)ccc(Br)c2n1.
What is the InChIKey of (8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine?
The InChIKey is JBXCMSQECIBACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c1-6(2)9-5-10(17-15)11-8(14)4-3-7(13)12(11)16-9/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of (8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine?
(8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine has a molecular weight of 298.16 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine is sourced from PubChem (CID 107629164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).