(7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine

C14H18BrN3 — CID 107629079

IUPAC(7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine
SMILESCc1c(Br)ccc2c(NN)cc(C(C)(C)C)nc12
InChIInChI=1S/C14H18BrN3/c1-8-10(15)6-5-9-11(18-16)7-12(14(2,3)4)17-13(8)9/h5-7H,16H2,1-4H3,(H,17,18)
InChIKeyNAUHFJJFJPTFIT-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.89
Rot. Bonds1

About (7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine

(7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine (PubChem CID 107629079) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is (7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine
PubChem CID107629079
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name(7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine
SMILESCc1c(Br)ccc2c(NN)cc(C(C)(C)C)nc12
InChIInChI=1S/C14H18BrN3/c1-8-10(15)6-5-9-11(18-16)7-12(14(2,3)4)17-13(8)9/h5-7H,16H2,1-4H3,(H,17,18)
InChIKeyNAUHFJJFJPTFIT-UHFFFAOYSA-N
XLogP3.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.89
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

[7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 107629093
7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 107628611
(8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine
CID 63482066
[7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine
CID 107629088
(2-tert-butyl-6,8-dimethylquinolin-4-yl)hydrazine
CID 62251885
(2-tert-butyl-6,8-dichloroquinolin-4-yl)hydrazine
CID 63482793
5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 55194440
2-tert-butyl-7,8-dimethylquinoline-4-carbohydrazide
CID 82448500
7-bromo-2-(methoxymethyl)-8-methyl-N-propylquinolin-4-amine
CID 107628600
8-bromo-2-tert-butyl-6-methyl-N-propylquinolin-4-amine
CID 63480755
7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
CID 107628624
2-tert-butyl-4-(chloromethyl)-7,8-dimethylquinoline
CID 82448488

Frequently Asked Questions

What is the IUPAC name of (7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine?
The IUPAC name of (7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine (CID 107629079) is (7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine.
What is the SMILES notation for (7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine?
The canonical SMILES for (7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine is Cc1c(Br)ccc2c(NN)cc(C(C)(C)C)nc12.
What is the InChIKey of (7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine?
The InChIKey is NAUHFJJFJPTFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-8-10(15)6-5-9-11(18-16)7-12(14(2,3)4)17-13(8)9/h5-7H,16H2,1-4H3,(H,17,18).
What are the key properties of (7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine?
(7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine has a molecular weight of 308.22 g/mol, XLogP of 3.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine is sourced from PubChem (CID 107629079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).