4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one

C17H13ClN2O2 — CID 6224252

IUPAC4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C17H13ClN2O2/c18-13-8-5-12(6-9-13)7-10-17(22)20-11-16(21)19-14-3-1-2-4-15(14)20/h1-10H,11H2,(H,19,21)/b10-7+
InChIKeyNMAUPIUJTPMSRD-JXMROGBWSA-N
MW312.76 g/mol
LogP3.34
Rot. Bonds2

About 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one

4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 6224252) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID6224252
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C17H13ClN2O2/c18-13-8-5-12(6-9-13)7-10-17(22)20-11-16(21)19-14-3-1-2-4-15(14)20/h1-10H,11H2,(H,19,21)/b10-7+
InChIKeyNMAUPIUJTPMSRD-JXMROGBWSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one (CID 6224252) is 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2N1.
What is the InChIKey of 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is NMAUPIUJTPMSRD-JXMROGBWSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-13-8-5-12(6-9-13)7-10-17(22)20-11-16(21)19-14-3-1-2-4-15(14)20/h1-10H,11H2,(H,19,21)/b10-7+.
What are the key properties of 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one?
4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 312.76 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 6224252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).