1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile

C20H13N3O2 — CID 10042094

IUPAC1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile
SMILESCOc1ccc(C(=O)c2cc(C#N)c3cnc4ccccc4n23)cc1
InChIInChI=1S/C20H13N3O2/c1-25-15-8-6-13(7-9-15)20(24)18-10-14(11-21)19-12-22-16-4-2-3-5-17(16)23(18)19/h2-10,12H,1H3
InChIKeyXRVAIIAWWSHHEV-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.60
Rot. Bonds3

About 1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile

1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile (PubChem CID 10042094) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile
PubChem CID10042094
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile
SMILESCOc1ccc(C(=O)c2cc(C#N)c3cnc4ccccc4n23)cc1
InChIInChI=1S/C20H13N3O2/c1-25-15-8-6-13(7-9-15)20(24)18-10-14(11-21)19-12-22-16-4-2-3-5-17(16)23(18)19/h2-10,12H,1H3
InChIKeyXRVAIIAWWSHHEV-UHFFFAOYSA-N
XLogP3.60
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile
CID 10337357
(4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
CID 20740497
9-methoxyindolo[1,2-a]quinoxaline
CID 46177682
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-(4-methoxybenzoyl)indolizine-7-carbonitrile
CID 122189024
2-[[5-(4-methoxybenzoyl)-1-methylpyrrol-2-yl]methyl]benzonitrile
CID 140996318
(2S)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1H-benzimidazolo[1,2-a]quinoline-6-carbonitrile
CID 99806147
(6-methoxyquinolin-3-yl)-phenylmethanone
CID 102416724
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 78885590
methyl 1-cyanoindolizine-3-carboxylate
CID 11127276
4-bromo-2-(4-methoxybenzoyl)benzonitrile
CID 121004784

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile?
The IUPAC name of 1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile (CID 10042094) is 1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile.
What is the SMILES notation for 1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile?
The canonical SMILES for 1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile is COc1ccc(C(=O)c2cc(C#N)c3cnc4ccccc4n23)cc1.
What is the InChIKey of 1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile?
The InChIKey is XRVAIIAWWSHHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2/c1-25-15-8-6-13(7-9-15)20(24)18-10-14(11-21)19-12-22-16-4-2-3-5-17(16)23(18)19/h2-10,12H,1H3.
What are the key properties of 1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile?
1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile has a molecular weight of 327.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile is sourced from PubChem (CID 10042094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).