(6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine

C12H13ClFN3 — CID 103997017

IUPAC(6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine
SMILESCCCc1cc2cc(Cl)c(F)cc2nc1NN
InChIInChI=1S/C12H13ClFN3/c1-2-3-7-4-8-5-9(13)10(14)6-11(8)16-12(7)17-15/h4-6H,2-3,15H2,1H3,(H,16,17)
InChIKeyBRUPMKPGEPDVSU-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.27
Rot. Bonds3

About (6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine

(6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine (PubChem CID 103997017) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is (6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine.

Molecular Properties

Compound Name(6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine
PubChem CID103997017
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name(6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine
SMILESCCCc1cc2cc(Cl)c(F)cc2nc1NN
InChIInChI=1S/C12H13ClFN3/c1-2-3-7-4-8-5-9(13)10(14)6-11(8)16-12(7)17-15/h4-6H,2-3,15H2,1H3,(H,16,17)
InChIKeyBRUPMKPGEPDVSU-UHFFFAOYSA-N
XLogP3.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.27
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-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine?
The IUPAC name of (6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine (CID 103997017) is (6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine.
What is the SMILES notation for (6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine?
The canonical SMILES for (6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine is CCCc1cc2cc(Cl)c(F)cc2nc1NN.
What is the InChIKey of (6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine?
The InChIKey is BRUPMKPGEPDVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-2-3-7-4-8-5-9(13)10(14)6-11(8)16-12(7)17-15/h4-6H,2-3,15H2,1H3,(H,16,17).
What are the key properties of (6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine?
(6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine has a molecular weight of 253.71 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine is sourced from PubChem (CID 103997017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).