(2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine

C13H15ClFN3 — CID 107370624

IUPAC(2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine
SMILESCC(C)(C)c1cc(NN)c2c(Cl)cc(F)cc2n1
InChIInChI=1S/C13H15ClFN3/c1-13(2,3)11-6-10(18-16)12-8(14)4-7(15)5-9(12)17-11/h4-6H,16H2,1-3H3,(H,17,18)
InChIKeyREMCXRVMHNPRCA-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.61
Rot. Bonds1

About (2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine

(2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine (PubChem CID 107370624) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is (2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine
PubChem CID107370624
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name(2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine
SMILESCC(C)(C)c1cc(NN)c2c(Cl)cc(F)cc2n1
InChIInChI=1S/C13H15ClFN3/c1-13(2,3)11-6-10(18-16)12-8(14)4-7(15)5-9(12)17-11/h4-6H,16H2,1-3H3,(H,17,18)
InChIKeyREMCXRVMHNPRCA-UHFFFAOYSA-N
XLogP3.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.61
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

5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine
CID 107370527
(2-tert-butyl-6,8-dichloroquinolin-4-yl)hydrazine
CID 63482793
[6-tert-butyl-2-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 62944421
(8-chloro-6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 107370632
5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine
CID 107370549
2-tert-butyl-5,6,7-trifluoroquinolin-4-amine
CID 62811734
2-tert-butyl-5,7-dichloroquinoline-4-carbaldehyde
CID 82449470
2,4-dichloro-7-fluoro-5-methylquinoline
CID 170368158
1-(2-tert-butyl-5,7-dichloroquinolin-4-yl)ethanone
CID 82449477
(5,7-dichloro-2-cyclopropylquinolin-4-yl)hydrazine
CID 63357712
5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine
CID 107370540
2-tert-butyl-6,8-difluoro-N-methylquinolin-4-amine
CID 62196271

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine?
The IUPAC name of (2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine (CID 107370624) is (2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine.
What is the SMILES notation for (2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine?
The canonical SMILES for (2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine is CC(C)(C)c1cc(NN)c2c(Cl)cc(F)cc2n1.
What is the InChIKey of (2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine?
The InChIKey is REMCXRVMHNPRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-13(2,3)11-6-10(18-16)12-8(14)4-7(15)5-9(12)17-11/h4-6H,16H2,1-3H3,(H,17,18).
What are the key properties of (2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine?
(2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine has a molecular weight of 267.74 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine is sourced from PubChem (CID 107370624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).