8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one

C16H17N3O — CID 25156283

IUPAC8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(CNC3CCC3)cc2n2cccc12
InChIInChI=1S/C16H17N3O/c20-16-14-5-2-8-19(14)15-9-11(6-7-13(15)18-16)10-17-12-3-1-4-12/h2,5-9,12,17H,1,3-4,10H2,(H,18,20)
InChIKeyCDIFACKVNGKUIS-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.42
Rot. Bonds3

About 8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one

8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 25156283) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID25156283
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(CNC3CCC3)cc2n2cccc12
InChIInChI=1S/C16H17N3O/c20-16-14-5-2-8-19(14)15-9-11(6-7-13(15)18-16)10-17-12-3-1-4-12/h2,5-9,12,17H,1,3-4,10H2,(H,18,20)
InChIKeyCDIFACKVNGKUIS-UHFFFAOYSA-N
XLogP2.42
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one (CID 25156283) is 8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one is O=c1[nH]c2ccc(CNC3CCC3)cc2n2cccc12.
What is the InChIKey of 8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is CDIFACKVNGKUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16-14-5-2-8-19(14)15-9-11(6-7-13(15)18-16)10-17-12-3-1-4-12/h2,5-9,12,17H,1,3-4,10H2,(H,18,20).
What are the key properties of 8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 267.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(cyclobutylamino)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 25156283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).