(5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine

C12H12Cl3N3 — CID 63553722

IUPAC(5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine
SMILESCCc1nc2c(Cl)cc(Cl)c(Cl)c2c(NN)c1C
InChIInChI=1S/C12H12Cl3N3/c1-3-8-5(2)11(18-16)9-10(15)6(13)4-7(14)12(9)17-8/h4H,3,16H2,1-2H3,(H,17,18)
InChIKeyFXUNQIDVNVDYOZ-UHFFFAOYSA-N
MW304.61 g/mol
LogP4.35
Rot. Bonds2

About (5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine

(5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine (PubChem CID 63553722) has the molecular formula C12H12Cl3N3 and a molecular weight of 304.61 g/mol. Its IUPAC name is (5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine
PubChem CID63553722
Molecular FormulaC12H12Cl3N3
Molecular Weight304.61 g/mol
Exact Mass303.01
IUPAC Name(5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine
SMILESCCc1nc2c(Cl)cc(Cl)c(Cl)c2c(NN)c1C
InChIInChI=1S/C12H12Cl3N3/c1-3-8-5(2)11(18-16)9-10(15)6(13)4-7(14)12(9)17-8/h4H,3,16H2,1-2H3,(H,17,18)
InChIKeyFXUNQIDVNVDYOZ-UHFFFAOYSA-N
XLogP4.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.61
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(7,8-dichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine
CID 63554990
(2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine
CID 63554093
(5,8-diethoxy-2-ethyl-3-methylquinolin-4-yl)hydrazine
CID 63555862
6,8-dichloro-2-ethyl-3-methyl-N-propylquinolin-4-amine
CID 63562406
(8-ethoxy-2-ethyl-3-methylquinolin-4-yl)hydrazine
CID 63553723
(5,8-dichloro-3-ethyl-2-methylquinolin-4-yl)hydrazine
CID 63483882
4,5,7-trichloro-2-ethyl-6-fluoro-3-methylquinoline
CID 107577499
6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine
CID 63560921
(2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine
CID 103996238
4,5-dichloro-2-ethyl-8-fluoro-3-methylquinoline
CID 63561489
8-chloro-2-ethyl-3-methyl-N-propylquinolin-4-amine
CID 63560531
2-ethyl-8-fluoro-N,3,6-trimethylquinolin-4-amine
CID 55221787

Frequently Asked Questions

What is the IUPAC name of (5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine?
The IUPAC name of (5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine (CID 63553722) is (5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine.
What is the SMILES notation for (5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine?
The canonical SMILES for (5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine is CCc1nc2c(Cl)cc(Cl)c(Cl)c2c(NN)c1C.
What is the InChIKey of (5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine?
The InChIKey is FXUNQIDVNVDYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl3N3/c1-3-8-5(2)11(18-16)9-10(15)6(13)4-7(14)12(9)17-8/h4H,3,16H2,1-2H3,(H,17,18).
What are the key properties of (5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine?
(5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine has a molecular weight of 304.61 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6,8-trichloro-2-ethyl-3-methylquinolin-4-yl)hydrazine is sourced from PubChem (CID 63553722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).