3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine

C15H18ClFN2 — CID 107370729

IUPAC3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine
SMILESCCNc1nc2cc(F)cc(Cl)c2cc1C(C)(C)C
InChIInChI=1S/C15H18ClFN2/c1-5-18-14-11(15(2,3)4)8-10-12(16)6-9(17)7-13(10)19-14/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyGMTSITSACHSNFL-UHFFFAOYSA-N
MW280.77 g/mol
LogP4.76
Rot. Bonds2

About 3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine

3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine (PubChem CID 107370729) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine
PubChem CID107370729
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine
SMILESCCNc1nc2cc(F)cc(Cl)c2cc1C(C)(C)C
InChIInChI=1S/C15H18ClFN2/c1-5-18-14-11(15(2,3)4)8-10-12(16)6-9(17)7-13(10)19-14/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyGMTSITSACHSNFL-UHFFFAOYSA-N
XLogP4.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.77
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine
CID 107370736
(3-tert-butyl-5,7-dichloroquinolin-2-yl)hydrazine
CID 63386184
3-tert-butyl-2-chloro-5,7-difluoroquinoline
CID 55185283
3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine
CID 63382241
5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine
CID 107579458
5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine
CID 107370549
8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine
CID 55197104
3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine
CID 63385895
4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 83073328
3,5-dichloro-N-ethyl-6-(3-fluoro-5-methylphenyl)pyridin-2-amine
CID 102753577
8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine
CID 63479104
5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine
CID 107370593

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine?
The IUPAC name of 3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine (CID 107370729) is 3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine.
What is the SMILES notation for 3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine?
The canonical SMILES for 3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine is CCNc1nc2cc(F)cc(Cl)c2cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine?
The InChIKey is GMTSITSACHSNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2/c1-5-18-14-11(15(2,3)4)8-10-12(16)6-9(17)7-13(10)19-14/h6-8H,5H2,1-4H3,(H,18,19).
What are the key properties of 3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine?
3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine has a molecular weight of 280.77 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine is sourced from PubChem (CID 107370729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).