[6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine

C11H10BrCl2N3O — CID 107794014

IUPAC[6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine
SMILESCOCc1cc(NN)c2cc(Br)c(Cl)c(Cl)c2n1
InChIInChI=1S/C11H10BrCl2N3O/c1-18-4-5-2-8(17-15)6-3-7(12)9(13)10(14)11(6)16-5/h2-3H,4,15H2,1H3,(H,16,17)
InChIKeyBGSMXMYMOKGPON-UHFFFAOYSA-N
MW351.03 g/mol
LogP3.74
Rot. Bonds3

About [6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine

[6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine (PubChem CID 107794014) has the molecular formula C11H10BrCl2N3O and a molecular weight of 351.03 g/mol. Its IUPAC name is [6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine
PubChem CID107794014
Molecular FormulaC11H10BrCl2N3O
Molecular Weight351.03 g/mol
Exact Mass348.94
IUPAC Name[6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine
SMILESCOCc1cc(NN)c2cc(Br)c(Cl)c(Cl)c2n1
InChIInChI=1S/C11H10BrCl2N3O/c1-18-4-5-2-8(17-15)6-3-7(12)9(13)10(14)11(6)16-5/h2-3H,4,15H2,1H3,(H,16,17)
InChIKeyBGSMXMYMOKGPON-UHFFFAOYSA-N
XLogP3.74
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.03
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6,8-dibromo-2-(methoxymethyl)quinolin-4-yl]hydrazine
CID 62318850
[2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine
CID 62319749
7,8-dichloro-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62320254
[5-chloro-8-methoxy-2-(methoxymethyl)quinolin-4-yl]hydrazine
CID 62319205
(6-bromo-7,8-dichloroquinolin-4-yl)hydrazine
CID 107794008
[7-fluoro-2-(methoxymethyl)-8-methylquinolin-4-yl]hydrazine
CID 62318482
7,8-dichloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
CID 62320255
8-bromo-N-ethyl-2-(methoxymethyl)-6-methylquinolin-4-amine
CID 62320624
8-bromo-2-(methoxymethyl)-N-methylquinolin-4-amine
CID 62319901
5-bromo-8-chloro-N-ethyl-2-(methoxymethyl)quinolin-4-amine
CID 55132058
7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
CID 107628624
(6-bromo-8-chloro-2-propylquinolin-4-yl)hydrazine
CID 63483522

Frequently Asked Questions

What is the IUPAC name of [6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine (CID 107794014) is [6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine is COCc1cc(NN)c2cc(Br)c(Cl)c(Cl)c2n1.
What is the InChIKey of [6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine?
The InChIKey is BGSMXMYMOKGPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2N3O/c1-18-4-5-2-8(17-15)6-3-7(12)9(13)10(14)11(6)16-5/h2-3H,4,15H2,1H3,(H,16,17).
What are the key properties of [6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine?
[6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine has a molecular weight of 351.03 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-7,8-dichloro-2-(methoxymethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 107794014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).