N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide

C19H13N5O2 — CID 3838457

IUPACN-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide
SMILESC=CCn1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc21
InChIInChI=1S/C19H13N5O2/c1-2-9-24-17(23-19(25)15-8-5-10-26-15)12(11-20)16-18(24)22-14-7-4-3-6-13(14)21-16/h2-8,10H,1,9H2,(H,23,25)
InChIKeyLFXSVQMEYVWZHW-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.49
Rot. Bonds4

About N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide

N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide (PubChem CID 3838457) has the molecular formula C19H13N5O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide
PubChem CID3838457
Molecular FormulaC19H13N5O2
Molecular Weight343.35 g/mol
Exact Mass343.11
IUPAC NameN-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide
SMILESC=CCn1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc21
InChIInChI=1S/C19H13N5O2/c1-2-9-24-17(23-19(25)15-8-5-10-26-15)12(11-20)16-18(24)22-14-7-4-3-6-13(14)21-16/h2-8,10H,1,9H2,(H,23,25)
InChIKeyLFXSVQMEYVWZHW-UHFFFAOYSA-N
XLogP3.49
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide?
The IUPAC name of N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide (CID 3838457) is N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide is C=CCn1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc21.
What is the InChIKey of N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide?
The InChIKey is LFXSVQMEYVWZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2/c1-2-9-24-17(23-19(25)15-8-5-10-26-15)12(11-20)16-18(24)22-14-7-4-3-6-13(14)21-16/h2-8,10H,1,9H2,(H,23,25).
What are the key properties of N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide?
N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 3838457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).