N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C20H19FN6O — CID 45138688

IUPACN-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCc4c(F)cccc4C3)n2)c1
InChIInChI=1S/C20H19FN6O/c1-13(28)24-15-5-3-6-16(10-15)25-19-22-12-23-20(26-19)27-9-8-17-14(11-27)4-2-7-18(17)21/h2-7,10,12H,8-9,11H2,1H3,(H,24,28)(H,22,23,25,26)
InChIKeyVEPQYVFRJZRDDY-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.28
Rot. Bonds4

About N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 45138688) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID45138688
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC NameN-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCc4c(F)cccc4C3)n2)c1
InChIInChI=1S/C20H19FN6O/c1-13(28)24-15-5-3-6-16(10-15)25-19-22-12-23-20(26-19)27-9-8-17-14(11-27)4-2-7-18(17)21/h2-7,10,12H,8-9,11H2,1H3,(H,24,28)(H,22,23,25,26)
InChIKeyVEPQYVFRJZRDDY-UHFFFAOYSA-N
XLogP3.28
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

N-[3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45136898
N-[2-methyl-3-[[4-(4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362171
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362973
N-[3-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 53362968
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 53362922
1-[4-(3-Acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
CID 53363031
N-[3-[[4-(4-benzylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53363032
N-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 53362921
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]-methylamino]phenyl]acetamide
CID 53362970
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]-N-methylacetamide
CID 53363026
N-[3-[(4-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 53363028
N-[3-[[4-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53363029

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 45138688) is N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCc4c(F)cccc4C3)n2)c1.
What is the InChIKey of N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is VEPQYVFRJZRDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-13(28)24-15-5-3-6-16(10-15)25-19-22-12-23-20(26-19)27-9-8-17-14(11-27)4-2-7-18(17)21/h2-7,10,12H,8-9,11H2,1H3,(H,24,28)(H,22,23,25,26).
What are the key properties of N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 378.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 45138688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).