N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine

C16H12ClFN2 — CID 62636135

IUPACN-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine
SMILESFc1cccc(Cl)c1CNc1ccc2ncccc2c1
InChIInChI=1S/C16H12ClFN2/c17-14-4-1-5-15(18)13(14)10-20-12-6-7-16-11(9-12)3-2-8-19-16/h1-9,20H,10H2
InChIKeyLXJXFNNUYURRSX-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.64
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine

N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine (PubChem CID 62636135) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine
PubChem CID62636135
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine
SMILESFc1cccc(Cl)c1CNc1ccc2ncccc2c1
InChIInChI=1S/C16H12ClFN2/c17-14-4-1-5-15(18)13(14)10-20-12-6-7-16-11(9-12)3-2-8-19-16/h1-9,20H,10H2
InChIKeyLXJXFNNUYURRSX-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine (CID 62636135) is N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine is Fc1cccc(Cl)c1CNc1ccc2ncccc2c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine?
The InChIKey is LXJXFNNUYURRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c17-14-4-1-5-15(18)13(14)10-20-12-6-7-16-11(9-12)3-2-8-19-16/h1-9,20H,10H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine?
N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine has a molecular weight of 286.74 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine is sourced from PubChem (CID 62636135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).