propyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate

C17H18N4O2 — CID 664798

IUPACpropyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESC=CCn1c(N)c(C(=O)OCCC)c2nc3ccccc3nc21
InChIInChI=1S/C17H18N4O2/c1-3-9-21-15(18)13(17(22)23-10-4-2)14-16(21)20-12-8-6-5-7-11(12)19-14/h3,5-8H,1,4,9-10,18H2,2H3
InChIKeyBYXJBDXQEXTHAL-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.92
Rot. Bonds5

About propyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate

propyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 664798) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is propyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID664798
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Namepropyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESC=CCn1c(N)c(C(=O)OCCC)c2nc3ccccc3nc21
InChIInChI=1S/C17H18N4O2/c1-3-9-21-15(18)13(17(22)23-10-4-2)14-16(21)20-12-8-6-5-7-11(12)19-14/h3,5-8H,1,4,9-10,18H2,2H3
InChIKeyBYXJBDXQEXTHAL-UHFFFAOYSA-N
XLogP2.92
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.92
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 propyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of propyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 664798) is propyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for propyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for propyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate is C=CCn1c(N)c(C(=O)OCCC)c2nc3ccccc3nc21.
What is the InChIKey of propyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is BYXJBDXQEXTHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-9-21-15(18)13(17(22)23-10-4-2)14-16(21)20-12-8-6-5-7-11(12)19-14/h3,5-8H,1,4,9-10,18H2,2H3.
What are the key properties of propyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
propyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 310.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 664798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).