(6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine

C13H15Br2N3O — CID 103416912

IUPAC(6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine
SMILESCOc1c(Br)cc(Br)c2nc(NN)c(C(C)C)cc12
InChIInChI=1S/C13H15Br2N3O/c1-6(2)7-4-8-11(17-13(7)18-16)9(14)5-10(15)12(8)19-3/h4-6H,16H2,1-3H3,(H,17,18)
InChIKeyPCLSUMFXUOUUPM-UHFFFAOYSA-N
MW389.09 g/mol
LogP4.18
Rot. Bonds3

About (6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine

(6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine (PubChem CID 103416912) has the molecular formula C13H15Br2N3O and a molecular weight of 389.09 g/mol. Its IUPAC name is (6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine.

Molecular Properties

Compound Name(6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine
PubChem CID103416912
Molecular FormulaC13H15Br2N3O
Molecular Weight389.09 g/mol
Exact Mass386.96
IUPAC Name(6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine
SMILESCOc1c(Br)cc(Br)c2nc(NN)c(C(C)C)cc12
InChIInChI=1S/C13H15Br2N3O/c1-6(2)7-4-8-11(17-13(7)18-16)9(14)5-10(15)12(8)19-3/h4-6H,16H2,1-3H3,(H,17,18)
InChIKeyPCLSUMFXUOUUPM-UHFFFAOYSA-N
XLogP4.18
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.09
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine?
The IUPAC name of (6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine (CID 103416912) is (6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine.
What is the SMILES notation for (6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine?
The canonical SMILES for (6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine is COc1c(Br)cc(Br)c2nc(NN)c(C(C)C)cc12.
What is the InChIKey of (6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine?
The InChIKey is PCLSUMFXUOUUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3O/c1-6(2)7-4-8-11(17-13(7)18-16)9(14)5-10(15)12(8)19-3/h4-6H,16H2,1-3H3,(H,17,18).
What are the key properties of (6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine?
(6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine has a molecular weight of 389.09 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine is sourced from PubChem (CID 103416912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).