2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C18H15N5O — CID 118386870

IUPAC2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCc1ccccc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21
InChIInChI=1S/C18H15N5O/c1-10-6-2-5-9-13(10)23-16(19)14(17(20)24)15-18(23)22-12-8-4-3-7-11(12)21-15/h2-9H,19H2,1H3,(H2,20,24)
InChIKeyUXTXRVSXYRFEIE-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.56
Rot. Bonds2

About 2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 118386870) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID118386870
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCc1ccccc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21
InChIInChI=1S/C18H15N5O/c1-10-6-2-5-9-13(10)23-16(19)14(17(20)24)15-18(23)22-12-8-4-3-7-11(12)21-15/h2-9H,19H2,1H3,(H2,20,24)
InChIKeyUXTXRVSXYRFEIE-UHFFFAOYSA-N
XLogP2.56
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 118386870) is 2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is Cc1ccccc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21.
What is the InChIKey of 2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is UXTXRVSXYRFEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-10-6-2-5-9-13(10)23-16(19)14(17(20)24)15-18(23)22-12-8-4-3-7-11(12)21-15/h2-9H,19H2,1H3,(H2,20,24).
What are the key properties of 2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 118386870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).