8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione

C20H17N3O3 — CID 158652908

IUPAC8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione
SMILESCn1cc(-c2ccc3c(c2)N2C(=O)CCC2C(=O)N3)c2c(c1=O)CC=C2
InChIInChI=1S/C20H17N3O3/c1-22-10-14(12-3-2-4-13(12)20(22)26)11-5-6-15-17(9-11)23-16(19(25)21-15)7-8-18(23)24/h2-3,5-6,9-10,16H,4,7-8H2,1H3,(H,21,25)
InChIKeyIBTQTDSGRZSHBT-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.07
Rot. Bonds1

About 8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione

8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione (PubChem CID 158652908) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione.

Molecular Properties

Compound Name8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione
PubChem CID158652908
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione
SMILESCn1cc(-c2ccc3c(c2)N2C(=O)CCC2C(=O)N3)c2c(c1=O)CC=C2
InChIInChI=1S/C20H17N3O3/c1-22-10-14(12-3-2-4-13(12)20(22)26)11-5-6-15-17(9-11)23-16(19(25)21-15)7-8-18(23)24/h2-3,5-6,9-10,16H,4,7-8H2,1H3,(H,21,25)
InChIKeyIBTQTDSGRZSHBT-UHFFFAOYSA-N
XLogP2.07
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione with MolForge

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Related Compounds

(2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione
CID 29021487
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CID 121334630
2-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]isoindole-1,3-dione
CID 92977923
9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
CID 84631881
4-(4-butan-2-yl-3-methylphenyl)-2,6-dimethyl-7,8-dihydro-5H-2,6-naphthyridin-1-one
CID 168925853
4-[2-cyclohexyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-2-methyl-7H-cyclopenta[c]pyridin-1-one
CID 165100828
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
6-(6-azaspiro[2.5]octan-6-yl)-5-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)pyridine-3-sulfonamide
CID 157193586
N-[4-(2-azaspiro[3.3]heptan-2-yl)-3-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)phenyl]butane-1-sulfonamide
CID 159271923
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100

Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione?
The IUPAC name of 8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione (CID 158652908) is 8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione.
What is the SMILES notation for 8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione?
The canonical SMILES for 8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione is Cn1cc(-c2ccc3c(c2)N2C(=O)CCC2C(=O)N3)c2c(c1=O)CC=C2.
What is the InChIKey of 8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione?
The InChIKey is IBTQTDSGRZSHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-22-10-14(12-3-2-4-13(12)20(22)26)11-5-6-15-17(9-11)23-16(19(25)21-15)7-8-18(23)24/h2-3,5-6,9-10,16H,4,7-8H2,1H3,(H,21,25).
What are the key properties of 8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione?
8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione has a molecular weight of 347.37 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-1-oxo-7H-cyclopenta[c]pyridin-4-yl)-2,3,3a,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,4-dione is sourced from PubChem (CID 158652908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).