4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine

C15H17FN2 — CID 176776734

IUPAC4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine
SMILESC=Cc1c(F)ccc2nc(N)cc(C(C)(C)C)c12
InChIInChI=1S/C15H17FN2/c1-5-9-11(16)6-7-12-14(9)10(15(2,3)4)8-13(17)18-12/h5-8H,1H2,2-4H3,(H2,17,18)
InChIKeyUAAVNRYVEQHZMO-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.90
Rot. Bonds1

About 4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine

4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine (PubChem CID 176776734) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine
PubChem CID176776734
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine
SMILESC=Cc1c(F)ccc2nc(N)cc(C(C)(C)C)c12
InChIInChI=1S/C15H17FN2/c1-5-9-11(16)6-7-12-14(9)10(15(2,3)4)8-13(17)18-12/h5-8H,1H2,2-4H3,(H2,17,18)
InChIKeyUAAVNRYVEQHZMO-UHFFFAOYSA-N
XLogP3.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethenyl-6-fluoro-4-methylquinolin-2-amine
CID 178101216
5-ethenyl-6-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 170338154
3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene
CID 175190379
7-tert-butyl-1,5-naphthyridin-2-amine
CID 164792594
2-ethenyl-1,3-difluoro-4-methylbenzene
CID 134441923
4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine
CID 172514436
3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine
CID 103587512
4-tert-butyl-6-fluoro-5-(trifluoromethylsulfanyl)naphthalen-2-amine
CID 172514368
2-tert-butyl-5,8-difluoroquinolin-4-amine
CID 62203255
3-tert-butyl-2-chloro-7,8-difluoroquinoline
CID 63382112
2-N-tert-butyl-3-fluoropyridine-2,6-diamine
CID 22121230
2-ethenyl-3-fluoroquinoline
CID 141092428

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine?
The IUPAC name of 4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine (CID 176776734) is 4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine.
What is the SMILES notation for 4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine?
The canonical SMILES for 4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine is C=Cc1c(F)ccc2nc(N)cc(C(C)(C)C)c12.
What is the InChIKey of 4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine?
The InChIKey is UAAVNRYVEQHZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-5-9-11(16)6-7-12-14(9)10(15(2,3)4)8-13(17)18-12/h5-8H,1H2,2-4H3,(H2,17,18).
What are the key properties of 4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine?
4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine has a molecular weight of 244.31 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine is sourced from PubChem (CID 176776734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).