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

C13H14ClFN2 — CID 155185035

IUPAC7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine
SMILESCC(C)(C)c1cc(F)c2cc(Cl)c(N)nc2c1
InChIInChI=1S/C13H14ClFN2/c1-13(2,3)7-4-10(15)8-6-9(14)12(16)17-11(8)5-7/h4-6H,1-3H3,(H2,16,17)
InChIKeyFWHXRZYCERUENV-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.91
Rot. Bonds

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

7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine (PubChem CID 155185035) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine.

Molecular Properties

Compound Name7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine
PubChem CID155185035
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine
SMILESCC(C)(C)c1cc(F)c2cc(Cl)c(N)nc2c1
InChIInChI=1S/C13H14ClFN2/c1-13(2,3)7-4-10(15)8-6-9(14)12(16)17-11(8)5-7/h4-6H,1-3H3,(H2,16,17)
InChIKeyFWHXRZYCERUENV-UHFFFAOYSA-N
XLogP3.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine?
The IUPAC name of 7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine (CID 155185035) is 7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine.
What is the SMILES notation for 7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine?
The canonical SMILES for 7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine is CC(C)(C)c1cc(F)c2cc(Cl)c(N)nc2c1.
What is the InChIKey of 7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine?
The InChIKey is FWHXRZYCERUENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2/c1-13(2,3)7-4-10(15)8-6-9(14)12(16)17-11(8)5-7/h4-6H,1-3H3,(H2,16,17).
What are the key properties of 7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine?
7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine has a molecular weight of 252.72 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine is sourced from PubChem (CID 155185035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).