7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one

C17H20N4O — CID 68501437

IUPAC7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESNC1CCN(Cc2ccc3c(c2)[nH]c(=O)c2cccn23)CC1
InChIInChI=1S/C17H20N4O/c18-13-5-8-20(9-6-13)11-12-3-4-15-14(10-12)19-17(22)16-2-1-7-21(15)16/h1-4,7,10,13H,5-6,8-9,11,18H2,(H,19,22)
InChIKeyQPCBMDDETCFKDH-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.70
Rot. Bonds2

About 7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one

7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 68501437) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID68501437
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESNC1CCN(Cc2ccc3c(c2)[nH]c(=O)c2cccn23)CC1
InChIInChI=1S/C17H20N4O/c18-13-5-8-20(9-6-13)11-12-3-4-15-14(10-12)19-17(22)16-2-1-7-21(15)16/h1-4,7,10,13H,5-6,8-9,11,18H2,(H,19,22)
InChIKeyQPCBMDDETCFKDH-UHFFFAOYSA-N
XLogP1.70
TPSA66.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one (CID 68501437) is 7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one is NC1CCN(Cc2ccc3c(c2)[nH]c(=O)c2cccn23)CC1.
What is the InChIKey of 7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is QPCBMDDETCFKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-13-5-8-20(9-6-13)11-12-3-4-15-14(10-12)19-17(22)16-2-1-7-21(15)16/h1-4,7,10,13H,5-6,8-9,11,18H2,(H,19,22).
What are the key properties of 7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one?
7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 296.37 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-aminopiperidin-1-yl)methyl]-5H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 68501437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).