2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide

C20H17N5O — CID 659479

IUPAC2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESC=CCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C20H17N5O/c1-2-12-25-18(21)16(20(26)22-13-8-4-3-5-9-13)17-19(25)24-15-11-7-6-10-14(15)23-17/h2-11H,1,12,21H2,(H,22,26)
InChIKeyQLVQQMHAPFHDSY-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.61
Rot. Bonds4

About 2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 659479) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID659479
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESC=CCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C20H17N5O/c1-2-12-25-18(21)16(20(26)22-13-8-4-3-5-9-13)17-19(25)24-15-11-7-6-10-14(15)23-17/h2-11H,1,12,21H2,(H,22,26)
InChIKeyQLVQQMHAPFHDSY-UHFFFAOYSA-N
XLogP3.61
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 659479) is 2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide is C=CCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc21.
What is the InChIKey of 2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is QLVQQMHAPFHDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-2-12-25-18(21)16(20(26)22-13-8-4-3-5-9-13)17-19(25)24-15-11-7-6-10-14(15)23-17/h2-11H,1,12,21H2,(H,22,26).
What are the key properties of 2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 659479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).