phenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate

C20H14N2O2 — CID 176903070

IUPACphenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate
SMILESO=C(/C=C/c1ccn2c1cnc1ccccc12)Oc1ccccc1
InChIInChI=1S/C20H14N2O2/c23-20(24-16-6-2-1-3-7-16)11-10-15-12-13-22-18-9-5-4-8-17(18)21-14-19(15)22/h1-14H/b11-10+
InChIKeyYNPINHKBEHINRT-ZHACJKMWSA-N
MW314.34 g/mol
LogP4.11
Rot. Bonds3

About phenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate

phenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate (PubChem CID 176903070) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is phenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate.

Molecular Properties

Compound Namephenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate
PubChem CID176903070
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Namephenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate
SMILESO=C(/C=C/c1ccn2c1cnc1ccccc12)Oc1ccccc1
InChIInChI=1S/C20H14N2O2/c23-20(24-16-6-2-1-3-7-16)11-10-15-12-13-22-18-9-5-4-8-17(18)21-14-19(15)22/h1-14H/b11-10+
InChIKeyYNPINHKBEHINRT-ZHACJKMWSA-N
XLogP4.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
(4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate
CID 1254915
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
phenyl (E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoate
CID 122188870
phenyl (E)-3-(1-methyl-6-oxopyridazin-4-yl)prop-2-enoate
CID 24750054
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
CID 89388699
phenyl 3-(3-oxo-3-phenoxyprop-1-enoxy)prop-2-enoate
CID 70225991
mercury;(Z)-4-oxo-4-phenoxybut-2-enoic acid
CID 67065285
phenyl imidazo[1,5-a]quinoxaline-4-carboxylate
CID 54309800
phenyl (Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 2423672
phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate
CID 118353282

Frequently Asked Questions

What is the IUPAC name of phenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate?
The IUPAC name of phenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate (CID 176903070) is phenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate.
What is the SMILES notation for phenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate?
The canonical SMILES for phenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate is O=C(/C=C/c1ccn2c1cnc1ccccc12)Oc1ccccc1.
What is the InChIKey of phenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate?
The InChIKey is YNPINHKBEHINRT-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20(24-16-6-2-1-3-7-16)11-10-15-12-13-22-18-9-5-4-8-17(18)21-14-19(15)22/h1-14H/b11-10+.
What are the key properties of phenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate?
phenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate has a molecular weight of 314.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate is sourced from PubChem (CID 176903070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).