(3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine

C14H17Cl2N3 — CID 113445996

IUPAC(3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine
SMILESCc1cc(Cl)c2nc(NN)c(C(C)(C)C)cc2c1Cl
InChIInChI=1S/C14H17Cl2N3/c1-7-5-10(15)12-8(11(7)16)6-9(14(2,3)4)13(18-12)19-17/h5-6H,17H2,1-4H3,(H,18,19)
InChIKeyGKIQTTPYESXHCB-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.43
Rot. Bonds1

About (3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine

(3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine (PubChem CID 113445996) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is (3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine.

Molecular Properties

Compound Name(3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine
PubChem CID113445996
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name(3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine
SMILESCc1cc(Cl)c2nc(NN)c(C(C)(C)C)cc2c1Cl
InChIInChI=1S/C14H17Cl2N3/c1-7-5-10(15)12-8(11(7)16)6-9(14(2,3)4)13(18-12)19-17/h5-6H,17H2,1-4H3,(H,18,19)
InChIKeyGKIQTTPYESXHCB-UHFFFAOYSA-N
XLogP4.43
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.43
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 (3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine?
The IUPAC name of (3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine (CID 113445996) is (3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine.
What is the SMILES notation for (3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine?
The canonical SMILES for (3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine is Cc1cc(Cl)c2nc(NN)c(C(C)(C)C)cc2c1Cl.
What is the InChIKey of (3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine?
The InChIKey is GKIQTTPYESXHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-7-5-10(15)12-8(11(7)16)6-9(14(2,3)4)13(18-12)19-17/h5-6H,17H2,1-4H3,(H,18,19).
What are the key properties of (3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine?
(3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine has a molecular weight of 298.22 g/mol, XLogP of 4.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine is sourced from PubChem (CID 113445996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).