2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile

C20H17N5O — CID 168731126

IUPAC2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESCOc1ccc(C)c(-n2c(N)c(C#N)c3nc4ccccc4nc32)c1C
InChIInChI=1S/C20H17N5O/c1-11-8-9-16(26-3)12(2)18(11)25-19(22)13(10-21)17-20(25)24-15-7-5-4-6-14(15)23-17/h4-9H,22H2,1-3H3
InChIKeyGJEBYAYLIXSRTC-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.65
Rot. Bonds2

About 2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile

2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 168731126) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID168731126
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESCOc1ccc(C)c(-n2c(N)c(C#N)c3nc4ccccc4nc32)c1C
InChIInChI=1S/C20H17N5O/c1-11-8-9-16(26-3)12(2)18(11)25-19(22)13(10-21)17-20(25)24-15-7-5-4-6-14(15)23-17/h4-9H,22H2,1-3H3
InChIKeyGJEBYAYLIXSRTC-UHFFFAOYSA-N
XLogP3.65
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (CID 168731126) is 2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is COc1ccc(C)c(-n2c(N)c(C#N)c3nc4ccccc4nc32)c1C.
What is the InChIKey of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is GJEBYAYLIXSRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-11-8-9-16(26-3)12(2)18(11)25-19(22)13(10-21)17-20(25)24-15-7-5-4-6-14(15)23-17/h4-9H,22H2,1-3H3.
What are the key properties of 2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile has a molecular weight of 343.39 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 168731126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).