3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H16FN3O4 — CID 75389522

IUPAC3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1cc2ccn(CCC(=O)Nc3cc(C)on3)c(=O)c2cc1F
InChIInChI=1S/C17H16FN3O4/c1-10-7-15(20-25-10)19-16(22)4-6-21-5-3-11-8-14(24-2)13(18)9-12(11)17(21)23/h3,5,7-9H,4,6H2,1-2H3,(H,19,20,22)
InChIKeyTVKDJQWJFYIPKO-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.47
Rot. Bonds5

About 3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 75389522) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is 3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID75389522
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Name3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1cc2ccn(CCC(=O)Nc3cc(C)on3)c(=O)c2cc1F
InChIInChI=1S/C17H16FN3O4/c1-10-7-15(20-25-10)19-16(22)4-6-21-5-3-11-8-14(24-2)13(18)9-12(11)17(21)23/h3,5,7-9H,4,6H2,1-2H3,(H,19,20,22)
InChIKeyTVKDJQWJFYIPKO-UHFFFAOYSA-N
XLogP2.47
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 75389522) is 3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1cc2ccn(CCC(=O)Nc3cc(C)on3)c(=O)c2cc1F.
What is the InChIKey of 3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is TVKDJQWJFYIPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-10-7-15(20-25-10)19-16(22)4-6-21-5-3-11-8-14(24-2)13(18)9-12(11)17(21)23/h3,5,7-9H,4,6H2,1-2H3,(H,19,20,22).
What are the key properties of 3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 345.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-6-methoxy-1-oxoisoquinolin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 75389522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).