[2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine

C17H16BrN3 — CID 105195623

IUPAC[2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cc1)c1cccc2ncccc12
InChIInChI=1S/C17H16BrN3/c18-13-8-6-12(7-9-13)11-17(21-19)15-3-1-5-16-14(15)4-2-10-20-16/h1-10,17,21H,11,19H2
InChIKeyLKXBTBUTMMVJTM-UHFFFAOYSA-N
MW342.24 g/mol
LogP3.74
Rot. Bonds4

About [2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine

[2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine (PubChem CID 105195623) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is [2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine
PubChem CID105195623
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name[2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cc1)c1cccc2ncccc12
InChIInChI=1S/C17H16BrN3/c18-13-8-6-12(7-9-13)11-17(21-19)15-3-1-5-16-14(15)4-2-10-20-16/h1-10,17,21H,11,19H2
InChIKeyLKXBTBUTMMVJTM-UHFFFAOYSA-N
XLogP3.74
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 53.74
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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Related Compounds

[2-(4-fluorophenyl)-1-quinolin-5-ylethyl]hydrazine
CID 105198380
[2-(5-bromo-2-pyridinyl)-1-quinolin-5-ylethyl]hydrazine
CID 105334462
2-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81209499
2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81210403
2-(4-bromophenyl)-1-quinolin-4-ylethanamine
CID 105089328
1-quinolin-5-ylpentylhydrazine
CID 105245773
(2-ethylsulfanyl-1-quinolin-5-ylethyl)hydrazine
CID 105225457
(2-phenoxy-1-quinolin-5-ylethyl)hydrazine
CID 105213090
1-quinolin-5-ylpent-3-ynylhydrazine
CID 105290528
(2-tert-butylsulfanyl-1-quinolin-5-ylethyl)hydrazine
CID 105226551
(3-methoxy-3-methyl-1-quinolin-5-ylbutyl)hydrazine
CID 103025431
[(2-bromophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105208734

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine?
The IUPAC name of [2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine (CID 105195623) is [2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine.
What is the SMILES notation for [2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine?
The canonical SMILES for [2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine is NNC(Cc1ccc(Br)cc1)c1cccc2ncccc12.
What is the InChIKey of [2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine?
The InChIKey is LKXBTBUTMMVJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c18-13-8-6-12(7-9-13)11-17(21-19)15-3-1-5-16-14(15)4-2-10-20-16/h1-10,17,21H,11,19H2.
What are the key properties of [2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine?
[2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine has a molecular weight of 342.24 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-1-quinolin-5-ylethyl]hydrazine is sourced from PubChem (CID 105195623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).