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

C19H21N5O2 — CID 659089

IUPAC2-amino-N-(oxolan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESC=CCn1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21
InChIInChI=1S/C19H21N5O2/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/h2-4,7-8,12H,1,5-6,9-11,20H2,(H,21,25)
InChIKeyHUOKONIPNSYRAG-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.26
Rot. Bonds5

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

2-amino-N-(oxolan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 659089) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-amino-N-(oxolan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(oxolan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID659089
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-amino-N-(oxolan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESC=CCn1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21
InChIInChI=1S/C19H21N5O2/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/h2-4,7-8,12H,1,5-6,9-11,20H2,(H,21,25)
InChIKeyHUOKONIPNSYRAG-UHFFFAOYSA-N
XLogP2.26
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
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 2-amino-N-(oxolan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-(oxolan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 659089) is 2-amino-N-(oxolan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-(oxolan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-(oxolan-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-(oxolan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is HUOKONIPNSYRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/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/h2-4,7-8,12H,1,5-6,9-11,20H2,(H,21,25).
What are the key properties of 2-amino-N-(oxolan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-(oxolan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(oxolan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 659089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).