5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one

C14H14N4O — CID 104505449

IUPAC5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1cncc2ccccc12
InChIInChI=1S/C14H14N4O/c1-2-18-12(13(15)17-14(18)19)11-8-16-7-9-5-3-4-6-10(9)11/h3-8,12H,2H2,1H3,(H2,15,17,19)
InChIKeyZWGFSJQYMRVWBC-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.09
Rot. Bonds2

About 5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one

5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one (PubChem CID 104505449) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one
PubChem CID104505449
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1cncc2ccccc12
InChIInChI=1S/C14H14N4O/c1-2-18-12(13(15)17-14(18)19)11-8-16-7-9-5-3-4-6-10(9)11/h3-8,12H,2H2,1H3,(H2,15,17,19)
InChIKeyZWGFSJQYMRVWBC-UHFFFAOYSA-N
XLogP2.09
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one (CID 104505449) is 5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one is CCN1C(=O)N=C(N)C1c1cncc2ccccc12.
What is the InChIKey of 5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one?
The InChIKey is ZWGFSJQYMRVWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-18-12(13(15)17-14(18)19)11-8-16-7-9-5-3-4-6-10(9)11/h3-8,12H,2H2,1H3,(H2,15,17,19).
What are the key properties of 5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one?
5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-4-isoquinolin-4-yl-4H-imidazol-2-one is sourced from PubChem (CID 104505449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).