7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C17H17BrN4O2 — CID 139010511

IUPAC7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCCN1C(=O)C2CN(c3ccnc4c(Br)cccc34)CCN2C1=O
InChIInChI=1S/C17H17BrN4O2/c1-2-21-16(23)14-10-20(8-9-22(14)17(21)24)13-6-7-19-15-11(13)4-3-5-12(15)18/h3-7,14H,2,8-10H2,1H3
InChIKeyBOJVWCUWPKLQQF-UHFFFAOYSA-N
MW389.25 g/mol
LogP2.47
Rot. Bonds2

About 7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 139010511) has the molecular formula C17H17BrN4O2 and a molecular weight of 389.25 g/mol. Its IUPAC name is 7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID139010511
Molecular FormulaC17H17BrN4O2
Molecular Weight389.25 g/mol
Exact Mass388.05
IUPAC Name7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCCN1C(=O)C2CN(c3ccnc4c(Br)cccc34)CCN2C1=O
InChIInChI=1S/C17H17BrN4O2/c1-2-21-16(23)14-10-20(8-9-22(14)17(21)24)13-6-7-19-15-11(13)4-3-5-12(15)18/h3-7,14H,2,8-10H2,1H3
InChIKeyBOJVWCUWPKLQQF-UHFFFAOYSA-N
XLogP2.47
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 139010511) is 7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is CCN1C(=O)C2CN(c3ccnc4c(Br)cccc34)CCN2C1=O.
What is the InChIKey of 7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is BOJVWCUWPKLQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O2/c1-2-21-16(23)14-10-20(8-9-22(14)17(21)24)13-6-7-19-15-11(13)4-3-5-12(15)18/h3-7,14H,2,8-10H2,1H3.
What are the key properties of 7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 389.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-bromoquinolin-4-yl)-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 139010511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).