6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one

C20H16FN3O — CID 122588282

IUPAC6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESNc1ncc(-c2ccccc2F)cc1-c1ccc2c(c1)CCNC2=O
InChIInChI=1S/C20H16FN3O/c21-18-4-2-1-3-15(18)14-10-17(19(22)24-11-14)12-5-6-16-13(9-12)7-8-23-20(16)25/h1-6,9-11H,7-8H2,(H2,22,24)(H,23,25)
InChIKeyOCEPNKAAQDQEON-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.42
Rot. Bonds2

About 6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one

6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 122588282) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID122588282
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESNc1ncc(-c2ccccc2F)cc1-c1ccc2c(c1)CCNC2=O
InChIInChI=1S/C20H16FN3O/c21-18-4-2-1-3-15(18)14-10-17(19(22)24-11-14)12-5-6-16-13(9-12)7-8-23-20(16)25/h1-6,9-11H,7-8H2,(H2,22,24)(H,23,25)
InChIKeyOCEPNKAAQDQEON-UHFFFAOYSA-N
XLogP3.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one (CID 122588282) is 6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one is Nc1ncc(-c2ccccc2F)cc1-c1ccc2c(c1)CCNC2=O.
What is the InChIKey of 6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is OCEPNKAAQDQEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c21-18-4-2-1-3-15(18)14-10-17(19(22)24-11-14)12-5-6-16-13(9-12)7-8-23-20(16)25/h1-6,9-11H,7-8H2,(H2,22,24)(H,23,25).
What are the key properties of 6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one?
6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 333.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-5-(2-fluorophenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 122588282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).