(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone

C16H18N4O — CID 66213045

IUPAC(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone
SMILESCC1C2CNCC2CN1C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C16H18N4O/c1-10-13-8-17-7-12(13)9-20(10)16(21)11-2-3-14-15(6-11)19-5-4-18-14/h2-6,10,12-13,17H,7-9H2,1H3
InChIKeyIEAPGSFRYWUAQW-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.31
Rot. Bonds1

About (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone

(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone (PubChem CID 66213045) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone
PubChem CID66213045
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone
SMILESCC1C2CNCC2CN1C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C16H18N4O/c1-10-13-8-17-7-12(13)9-20(10)16(21)11-2-3-14-15(6-11)19-5-4-18-14/h2-6,10,12-13,17H,7-9H2,1H3
InChIKeyIEAPGSFRYWUAQW-UHFFFAOYSA-N
XLogP1.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone?
The IUPAC name of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone (CID 66213045) is (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone.
What is the SMILES notation for (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone?
The canonical SMILES for (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone is CC1C2CNCC2CN1C(=O)c1ccc2nccnc2c1.
What is the InChIKey of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone?
The InChIKey is IEAPGSFRYWUAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-13-8-17-7-12(13)9-20(10)16(21)11-2-3-14-15(6-11)19-5-4-18-14/h2-6,10,12-13,17H,7-9H2,1H3.
What are the key properties of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone?
(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone has a molecular weight of 282.35 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinoxalin-6-ylmethanone is sourced from PubChem (CID 66213045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).