7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine

C18H12FN3O — CID 71679952

IUPAC7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine
SMILESNc1ncc(-c2ncco2)c2ccc(-c3cccc(F)c3)cc12
InChIInChI=1S/C18H12FN3O/c19-13-3-1-2-11(8-13)12-4-5-14-15(9-12)17(20)22-10-16(14)18-21-6-7-23-18/h1-10H,(H2,20,22)
InChIKeyVXMYHZDCXLNMFO-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.28
Rot. Bonds2

About 7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine

7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine (PubChem CID 71679952) has the molecular formula C18H12FN3O and a molecular weight of 305.31 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine
PubChem CID71679952
Molecular FormulaC18H12FN3O
Molecular Weight305.31 g/mol
Exact Mass305.10
IUPAC Name7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine
SMILESNc1ncc(-c2ncco2)c2ccc(-c3cccc(F)c3)cc12
InChIInChI=1S/C18H12FN3O/c19-13-3-1-2-11(8-13)12-4-5-14-15(9-12)17(20)22-10-16(14)18-21-6-7-23-18/h1-10H,(H2,20,22)
InChIKeyVXMYHZDCXLNMFO-UHFFFAOYSA-N
XLogP4.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3-fluorophenyl)-4-(4-fluorophenyl)isoquinolin-1-amine
CID 44527392
7-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)isoquinolin-1-amine
CID 44527377
1-[4-[1-amino-7-(3-fluorophenyl)isoquinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 71678279
2-(2,5-difluorophenyl)-1,3-oxazole
CID 10678958
N-[[1-amino-7-(3-fluorophenyl)isoquinolin-4-yl]methyl]cyclopropanecarboxamide
CID 71678115
2-[3,6,8-tris(1,3-oxazol-2-yl)pyren-1-yl]-1,3-oxazole
CID 90336805
5-(2-amino-4-pyridinyl)-7-(3-fluorophenyl)-1H-indazol-3-amine
CID 170351905
3-[[[[1-amino-7-(3-fluorophenyl)isoquinolin-4-yl]-hydroxymethyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 163806299
1-amino-7-(3-fluorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]isoquinoline-4-carboxamide
CID 71678794
2-(3-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-1,3,4-oxadiazole
CID 25009809
2-fluoro-1,4-bis(3-fluorophenyl)benzene
CID 58392571
2-fluoro-3,5-bis(3-fluorophenyl)pyridine
CID 46313566

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine?
The IUPAC name of 7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine (CID 71679952) is 7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine.
What is the SMILES notation for 7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine?
The canonical SMILES for 7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine is Nc1ncc(-c2ncco2)c2ccc(-c3cccc(F)c3)cc12.
What is the InChIKey of 7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine?
The InChIKey is VXMYHZDCXLNMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O/c19-13-3-1-2-11(8-13)12-4-5-14-15(9-12)17(20)22-10-16(14)18-21-6-7-23-18/h1-10H,(H2,20,22).
What are the key properties of 7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine?
7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine has a molecular weight of 305.31 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-4-(1,3-oxazol-2-yl)isoquinolin-1-amine is sourced from PubChem (CID 71679952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).