N-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine

C16H14FN3O — CID 134193357

IUPACN-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine
SMILESFCCOc1ccc(Nc2ccc3cnccc3c2)nc1
InChIInChI=1S/C16H14FN3O/c17-6-8-21-15-3-4-16(19-11-15)20-14-2-1-13-10-18-7-5-12(13)9-14/h1-5,7,9-11H,6,8H2,(H,19,20)
InChIKeyLQCVAJQBTOSASE-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.72
Rot. Bonds5

About N-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine

N-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine (PubChem CID 134193357) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine.

Molecular Properties

Compound NameN-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine
PubChem CID134193357
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine
SMILESFCCOc1ccc(Nc2ccc3cnccc3c2)nc1
InChIInChI=1S/C16H14FN3O/c17-6-8-21-15-3-4-16(19-11-15)20-14-2-1-13-10-18-7-5-12(13)9-14/h1-5,7,9-11H,6,8H2,(H,19,20)
InChIKeyLQCVAJQBTOSASE-UHFFFAOYSA-N
XLogP3.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine?
The IUPAC name of N-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine (CID 134193357) is N-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine.
What is the SMILES notation for N-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine?
The canonical SMILES for N-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine is FCCOc1ccc(Nc2ccc3cnccc3c2)nc1.
What is the InChIKey of N-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine?
The InChIKey is LQCVAJQBTOSASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-6-8-21-15-3-4-16(19-11-15)20-14-2-1-13-10-18-7-5-12(13)9-14/h1-5,7,9-11H,6,8H2,(H,19,20).
What are the key properties of N-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine?
N-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine has a molecular weight of 283.31 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoroethoxy)-2-pyridinyl]isoquinolin-6-amine is sourced from PubChem (CID 134193357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).