N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

C23H23N3O5 — CID 53159225

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESCCCN1C(=O)C2CCC(=O)N2c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc21
InChIInChI=1S/C23H23N3O5/c1-2-9-25-18-12-14(3-5-16(18)26-17(23(25)29)6-8-21(26)27)22(28)24-15-4-7-19-20(13-15)31-11-10-30-19/h3-5,7,12-13,17H,2,6,8-11H2,1H3,(H,24,28)
InChIKeyCMJOKHGAWBJXBD-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.96
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide (PubChem CID 53159225) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
PubChem CID53159225
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESCCCN1C(=O)C2CCC(=O)N2c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc21
InChIInChI=1S/C23H23N3O5/c1-2-9-25-18-12-14(3-5-16(18)26-17(23(25)29)6-8-21(26)27)22(28)24-15-4-7-19-20(13-15)31-11-10-30-19/h3-5,7,12-13,17H,2,6,8-11H2,1H3,(H,24,28)
InChIKeyCMJOKHGAWBJXBD-UHFFFAOYSA-N
XLogP2.96
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR)-N-(4-methoxyphenyl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 95099369
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
CID 91907429
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide
CID 110693119
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4071661
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
3-amino-4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 61095483
4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
CID 109044179
2-[(7aS)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 27941827
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(methylsulfanylmethyl)benzamide
CID 18108018
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43236461
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 167780671

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide (CID 53159225) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide is CCCN1C(=O)C2CCC(=O)N2c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The InChIKey is CMJOKHGAWBJXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-2-9-25-18-12-14(3-5-16(18)26-17(23(25)29)6-8-21(26)27)22(28)24-15-4-7-19-20(13-15)31-11-10-30-19/h3-5,7,12-13,17H,2,6,8-11H2,1H3,(H,24,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxo-5-propyl-3,3a-dihydro-2H-pyrrolo[1,2-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53159225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).