N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide

C20H19N3O3 — CID 46295429

IUPACN-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2Cc3cccn3-c3ccccc32)c1
InChIInChI=1S/C20H19N3O3/c1-25-15-9-10-19(26-2)16(12-15)21-20(24)23-13-14-6-5-11-22(14)17-7-3-4-8-18(17)23/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyNJAIWWPLROOJPX-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.05
Rot. Bonds3

About N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide

N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide (PubChem CID 46295429) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
PubChem CID46295429
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2Cc3cccn3-c3ccccc32)c1
InChIInChI=1S/C20H19N3O3/c1-25-15-9-10-19(26-2)16(12-15)21-20(24)23-13-14-6-5-11-22(14)17-7-3-4-8-18(17)23/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyNJAIWWPLROOJPX-UHFFFAOYSA-N
XLogP4.05
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 46295420
N-(2,5-dichlorophenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 20931627
N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907181
N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide
CID 4194410
4-(2-chlorophenyl)-N-(2,5-dimethoxyphenyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 46337314
N-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 50790012
(4R)-N-(2,5-dimethoxyphenyl)-4-thiophen-2-yl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92747878
(4R)-N-(2,5-dimethoxyphenyl)-4-(3-methylphenyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92748487
(4S)-N-(2,5-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92748004
(4S)-N-(2,4-dimethoxyphenyl)-4-methyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92747716
(4R)-N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92748127
7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030260

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide (CID 46295429) is N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide is COc1ccc(OC)c(NC(=O)N2Cc3cccn3-c3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
The InChIKey is NJAIWWPLROOJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-15-9-10-19(26-2)16(12-15)21-20(24)23-13-14-6-5-11-22(14)17-7-3-4-8-18(17)23/h3-12H,13H2,1-2H3,(H,21,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?
N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 46295429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).