1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile

C22H15N5 — CID 2310656

IUPAC1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESCc1ccc(-n2c(-n3cccc3)c(C#N)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C22H15N5/c1-15-8-10-16(11-9-15)27-21-20(24-18-6-2-3-7-19(18)25-21)17(14-23)22(27)26-12-4-5-13-26/h2-13H,1H3
InChIKeyRMRHITZIVAQNEJ-UHFFFAOYSA-N
MW349.40 g/mol
LogP4.54
Rot. Bonds2

About 1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile

1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 2310656) has the molecular formula C22H15N5 and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID2310656
Molecular FormulaC22H15N5
Molecular Weight349.40 g/mol
Exact Mass349.13
IUPAC Name1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESCc1ccc(-n2c(-n3cccc3)c(C#N)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C22H15N5/c1-15-8-10-16(11-9-15)27-21-20(24-18-6-2-3-7-19(18)25-21)17(14-23)22(27)26-12-4-5-13-26/h2-13H,1H3
InChIKeyRMRHITZIVAQNEJ-UHFFFAOYSA-N
XLogP4.54
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 911015
N-[3-cyano-1-(4-methylphenyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-phenylprop-2-enamide
CID 3787991
2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 987559
2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 853276
1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 933055
2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 745688
2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 168731126
6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 23994062
2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 657501
2,13-bis(4-methylphenyl)-2,4,11,13,15,22-hexazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene
CID 58462208
6-amino-1-(4-methylphenyl)-4-phenyl-2-sulfanylidenepyrimidine-5-carbonitrile
CID 5297911
17-(4-methylphenyl)-13-prop-2-enyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 659460

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile (CID 2310656) is 1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile is Cc1ccc(-n2c(-n3cccc3)c(C#N)c3nc4ccccc4nc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is RMRHITZIVAQNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5/c1-15-8-10-16(11-9-15)27-21-20(24-18-6-2-3-7-19(18)25-21)17(14-23)22(27)26-12-4-5-13-26/h2-13H,1H3.
What are the key properties of 1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile?
1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile has a molecular weight of 349.40 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 2310656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).