7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one

C19H19N3O2 — CID 138381607

IUPAC7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCCCc1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)o1
InChIInChI=1S/C19H19N3O2/c1-2-3-15-6-7-17(24-15)18-20-10-11-22(18)14-5-4-13-8-9-21-19(23)16(13)12-14/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,23)
InChIKeyNWTQAXHRVGTMFF-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.37
Rot. Bonds4

About 7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one

7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 138381607) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID138381607
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCCCc1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)o1
InChIInChI=1S/C19H19N3O2/c1-2-3-15-6-7-17(24-15)18-20-10-11-22(18)14-5-4-13-8-9-21-19(23)16(13)12-14/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,23)
InChIKeyNWTQAXHRVGTMFF-UHFFFAOYSA-N
XLogP3.37
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one (CID 138381607) is 7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one is CCCc1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)o1.
What is the InChIKey of 7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is NWTQAXHRVGTMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-3-15-6-7-17(24-15)18-20-10-11-22(18)14-5-4-13-8-9-21-19(23)16(13)12-14/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,23).
What are the key properties of 7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 321.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 138381607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).