1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone

C19H14N2O3 — CID 869474

IUPAC1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nc3c4ccccc4ccn3c2C(C)=O)o1
InChIInChI=1S/C19H14N2O3/c1-11(22)15-7-8-16(24-15)17-18(12(2)23)21-10-9-13-5-3-4-6-14(13)19(21)20-17/h3-10H,1-2H3
InChIKeyRLVXSLRIIAXFQH-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.15
Rot. Bonds3

About 1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone

1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone (PubChem CID 869474) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone
PubChem CID869474
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nc3c4ccccc4ccn3c2C(C)=O)o1
InChIInChI=1S/C19H14N2O3/c1-11(22)15-7-8-16(24-15)17-18(12(2)23)21-10-9-13-5-3-4-6-14(13)19(21)20-17/h3-10H,1-2H3
InChIKeyRLVXSLRIIAXFQH-UHFFFAOYSA-N
XLogP4.15
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone (CID 869474) is 1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone is CC(=O)c1ccc(-c2nc3c4ccccc4ccn3c2C(C)=O)o1.
What is the InChIKey of 1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone?
The InChIKey is RLVXSLRIIAXFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-11(22)15-7-8-16(24-15)17-18(12(2)23)21-10-9-13-5-3-4-6-14(13)19(21)20-17/h3-10H,1-2H3.
What are the key properties of 1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone?
1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone has a molecular weight of 318.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-acetylimidazo[2,1-a]isoquinolin-2-yl)furan-2-yl]ethanone is sourced from PubChem (CID 869474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).