3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine

C14H16ClFN2 — CID 63382241

IUPAC3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine
SMILESCNc1nc2c(Cl)cc(F)cc2cc1C(C)(C)C
InChIInChI=1S/C14H16ClFN2/c1-14(2,3)10-6-8-5-9(16)7-11(15)12(8)18-13(10)17-4/h5-7H,1-4H3,(H,17,18)
InChIKeyUKFWTYQGIBUKLV-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.37
Rot. Bonds1

About 3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine

3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine (PubChem CID 63382241) has the molecular formula C14H16ClFN2 and a molecular weight of 266.75 g/mol. Its IUPAC name is 3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine
PubChem CID63382241
Molecular FormulaC14H16ClFN2
Molecular Weight266.75 g/mol
Exact Mass266.10
IUPAC Name3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine
SMILESCNc1nc2c(Cl)cc(F)cc2cc1C(C)(C)C
InChIInChI=1S/C14H16ClFN2/c1-14(2,3)10-6-8-5-9(16)7-11(15)12(8)18-13(10)17-4/h5-7H,1-4H3,(H,17,18)
InChIKeyUKFWTYQGIBUKLV-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine
CID 63386267
3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine
CID 107370729
3,6-ditert-butyl-N-methylquinolin-2-amine
CID 63382437
3-tert-butyl-8-chloro-N-propylquinolin-2-amine
CID 55184386
3-tert-butyl-N,6-dimethylquinolin-2-amine
CID 63382237
(3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine
CID 113445996
(3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine
CID 63386017
8-chloro-6-fluoro-N,2,3-trimethylquinolin-4-amine
CID 62203429
3-tert-butyl-2,7-dichloro-8-fluoroquinoline
CID 63381988
8-bromo-6-fluoro-N,3-dimethylquinolin-2-amine
CID 63232314
3-tert-butyl-N-methyl-6-propan-2-ylquinolin-2-amine
CID 63382081
3,5-dichloro-2-N-methyl-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine
CID 102758802

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine?
The IUPAC name of 3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine (CID 63382241) is 3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine.
What is the SMILES notation for 3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine?
The canonical SMILES for 3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine is CNc1nc2c(Cl)cc(F)cc2cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine?
The InChIKey is UKFWTYQGIBUKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2/c1-14(2,3)10-6-8-5-9(16)7-11(15)12(8)18-13(10)17-4/h5-7H,1-4H3,(H,17,18).
What are the key properties of 3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine?
3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine has a molecular weight of 266.75 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine is sourced from PubChem (CID 63382241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).