N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine

C17H14ClFN2 — CID 70114178

IUPACN-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine
SMILESFc1cccc2c(NCCc3ccccc3Cl)ccnc12
InChIInChI=1S/C17H14ClFN2/c18-14-6-2-1-4-12(14)8-10-20-16-9-11-21-17-13(16)5-3-7-15(17)19/h1-7,9,11H,8,10H2,(H,20,21)
InChIKeyJKEIFHFVTUXMTG-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.68
Rot. Bonds4

About N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine

N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine (PubChem CID 70114178) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine
PubChem CID70114178
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine
SMILESFc1cccc2c(NCCc3ccccc3Cl)ccnc12
InChIInChI=1S/C17H14ClFN2/c18-14-6-2-1-4-12(14)8-10-20-16-9-11-21-17-13(16)5-3-7-15(17)19/h1-7,9,11H,8,10H2,(H,20,21)
InChIKeyJKEIFHFVTUXMTG-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-8-fluoroquinolin-4-amine
CID 43833203
5-N-[2-(2-fluorophenyl)ethyl]quinoline-5,8-diamine
CID 43449441
N-[2-[(8-fluoroquinolin-4-yl)amino]ethyl]ethanesulfonamide
CID 86807093
8-chloro-N-ethylquinolin-4-amine
CID 62190462
1-(8-fluoroquinolin-4-yl)-2-phenylhydrazine
CID 43832731
4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine
CID 103000150
8-fluoro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
CID 67600804
4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894660
N-[2-(2-methylphenyl)ethyl]quinolin-4-amine
CID 79755193
2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide
CID 62501596
5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine
CID 106537294
N-(2,4-dimethylphenyl)-8-fluoroquinolin-4-amine
CID 43832975

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine (CID 70114178) is N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine is Fc1cccc2c(NCCc3ccccc3Cl)ccnc12.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine?
The InChIKey is JKEIFHFVTUXMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c18-14-6-2-1-4-12(14)8-10-20-16-9-11-21-17-13(16)5-3-7-15(17)19/h1-7,9,11H,8,10H2,(H,20,21).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine?
N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine has a molecular weight of 300.76 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-8-fluoroquinolin-4-amine is sourced from PubChem (CID 70114178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).