2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile

C18H13N5O — CID 745688

IUPAC2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESCOc1ccccc1-n1c(N)c(C#N)c2nc3ccccc3nc21
InChIInChI=1S/C18H13N5O/c1-24-15-9-5-4-8-14(15)23-17(20)11(10-19)16-18(23)22-13-7-3-2-6-12(13)21-16/h2-9H,20H2,1H3
InChIKeyBEDHSZJWKKIXLW-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.04
Rot. Bonds2

About 2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile

2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 745688) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID745688
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESCOc1ccccc1-n1c(N)c(C#N)c2nc3ccccc3nc21
InChIInChI=1S/C18H13N5O/c1-24-15-9-5-4-8-14(15)23-17(20)11(10-19)16-18(23)22-13-7-3-2-6-12(13)21-16/h2-9H,20H2,1H3
InChIKeyBEDHSZJWKKIXLW-UHFFFAOYSA-N
XLogP3.04
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 168731126
2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 911015
1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 933055
2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 853276
2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 987559
2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 657501
2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714757
methyl 2-amino-3-cyano-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-6-carboxylate
CID 168731101
6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile
CID 23989728
4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide
CID 2415621
2-amino-1-(2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23877092
2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 3631874

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (CID 745688) is 2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is COc1ccccc1-n1c(N)c(C#N)c2nc3ccccc3nc21.
What is the InChIKey of 2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is BEDHSZJWKKIXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c1-24-15-9-5-4-8-14(15)23-17(20)11(10-19)16-18(23)22-13-7-3-2-6-12(13)21-16/h2-9H,20H2,1H3.
What are the key properties of 2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile has a molecular weight of 315.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 745688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).