(8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine

C12H13ClIN3 — CID 107607953

IUPAC(8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine
SMILESCCCc1cc(NN)c2cc(I)cc(Cl)c2n1
InChIInChI=1S/C12H13ClIN3/c1-2-3-8-6-11(17-15)9-4-7(14)5-10(13)12(9)16-8/h4-6H,2-3,15H2,1H3,(H,16,17)
InChIKeyAXDAGGGVOHAWCH-UHFFFAOYSA-N
MW361.61 g/mol
LogP3.73
Rot. Bonds3

About (8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine

(8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine (PubChem CID 107607953) has the molecular formula C12H13ClIN3 and a molecular weight of 361.61 g/mol. Its IUPAC name is (8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine
PubChem CID107607953
Molecular FormulaC12H13ClIN3
Molecular Weight361.61 g/mol
Exact Mass360.98
IUPAC Name(8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine
SMILESCCCc1cc(NN)c2cc(I)cc(Cl)c2n1
InChIInChI=1S/C12H13ClIN3/c1-2-3-8-6-11(17-15)9-4-7(14)5-10(13)12(9)16-8/h4-6H,2-3,15H2,1H3,(H,16,17)
InChIKeyAXDAGGGVOHAWCH-UHFFFAOYSA-N
XLogP3.73
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.61
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 (8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine?
The IUPAC name of (8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine (CID 107607953) is (8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine.
What is the SMILES notation for (8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine?
The canonical SMILES for (8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine is CCCc1cc(NN)c2cc(I)cc(Cl)c2n1.
What is the InChIKey of (8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine?
The InChIKey is AXDAGGGVOHAWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClIN3/c1-2-3-8-6-11(17-15)9-4-7(14)5-10(13)12(9)16-8/h4-6H,2-3,15H2,1H3,(H,16,17).
What are the key properties of (8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine?
(8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine has a molecular weight of 361.61 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine is sourced from PubChem (CID 107607953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).