2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide

C19H17N5O2 — CID 918932

IUPAC2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESC=CCn1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc21
InChIInChI=1S/C19H17N5O2/c1-2-9-24-17(20)15(19(25)21-11-12-6-5-10-26-12)16-18(24)23-14-8-4-3-7-13(14)22-16/h2-8,10H,1,9,11,20H2,(H,21,25)
InChIKeyUPXLJKCRGCSAMC-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.88
Rot. Bonds5

About 2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 918932) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID918932
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESC=CCn1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc21
InChIInChI=1S/C19H17N5O2/c1-2-9-24-17(20)15(19(25)21-11-12-6-5-10-26-12)16-18(24)23-14-8-4-3-7-13(14)22-16/h2-8,10H,1,9,11,20H2,(H,21,25)
InChIKeyUPXLJKCRGCSAMC-UHFFFAOYSA-N
XLogP2.88
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2426783
2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 659479
2-amino-N-(6-methylheptan-2-yl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3818685
4-amino-N-(furan-2-ylmethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 752647
N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794769
N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide
CID 3838457
[(2R)-butan-2-yl] 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 944403
2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6880844
N-(furan-2-ylmethylcarbamoyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 7251108
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
CID 3142687
2-amino-N,1-bis(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2015264
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
CID 16782827

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 918932) is 2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide is C=CCn1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc21.
What is the InChIKey of 2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is UPXLJKCRGCSAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-2-9-24-17(20)15(19(25)21-11-12-6-5-10-26-12)16-18(24)23-14-8-4-3-7-13(14)22-16/h2-8,10H,1,9,11,20H2,(H,21,25).
What are the key properties of 2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 918932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).