5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one

C19H21N3O2 — CID 22522494

IUPAC5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one
SMILESCC1CCN(C(=O)Cn2c(=O)c3cccn3c3ccccc32)CC1
InChIInChI=1S/C19H21N3O2/c1-14-8-11-20(12-9-14)18(23)13-22-16-6-3-2-5-15(16)21-10-4-7-17(21)19(22)24/h2-7,10,14H,8-9,11-13H2,1H3
InChIKeyPFGBYDKGJHAWIT-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.51
Rot. Bonds2

About 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one

5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 22522494) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID22522494
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one
SMILESCC1CCN(C(=O)Cn2c(=O)c3cccn3c3ccccc32)CC1
InChIInChI=1S/C19H21N3O2/c1-14-8-11-20(12-9-14)18(23)13-22-16-6-3-2-5-15(16)21-10-4-7-17(21)19(22)24/h2-7,10,14H,8-9,11-13H2,1H3
InChIKeyPFGBYDKGJHAWIT-UHFFFAOYSA-N
XLogP2.51
TPSA46.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one (CID 22522494) is 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one is CC1CCN(C(=O)Cn2c(=O)c3cccn3c3ccccc32)CC1.
What is the InChIKey of 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is PFGBYDKGJHAWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-8-11-20(12-9-14)18(23)13-22-16-6-3-2-5-15(16)21-10-4-7-17(21)19(22)24/h2-7,10,14H,8-9,11-13H2,1H3.
What are the key properties of 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one?
5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 323.40 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 22522494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).