4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one

C15H11BrN2O3 — CID 26860691

IUPAC4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)/C=C/c2ccc(Br)o2)c2ccccc2N1
InChIInChI=1S/C15H11BrN2O3/c16-13-7-5-10(21-13)6-8-15(20)18-9-14(19)17-11-3-1-2-4-12(11)18/h1-8H,9H2,(H,17,19)/b8-6+
InChIKeyCCIGBQRXMKZBHU-SOFGYWHQSA-N
MW347.17 g/mol
LogP3.04
Rot. Bonds2

About 4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one

4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 26860691) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID26860691
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)/C=C/c2ccc(Br)o2)c2ccccc2N1
InChIInChI=1S/C15H11BrN2O3/c16-13-7-5-10(21-13)6-8-15(20)18-9-14(19)17-11-3-1-2-4-12(11)18/h1-8H,9H2,(H,17,19)/b8-6+
InChIKeyCCIGBQRXMKZBHU-SOFGYWHQSA-N
XLogP3.04
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-(2-bromophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 51166272
4-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 52561683
4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 2547943
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 17456605
4-[(E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 2579481
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetohydrazide
CID 43164015
4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
CID 4749914
4-(5-methylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2475308
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(4-fluorophenyl)prop-2-enoate
CID 4035522
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one (CID 26860691) is 4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)/C=C/c2ccc(Br)o2)c2ccccc2N1.
What is the InChIKey of 4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is CCIGBQRXMKZBHU-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-13-7-5-10(21-13)6-8-15(20)18-9-14(19)17-11-3-1-2-4-12(11)18/h1-8H,9H2,(H,17,19)/b8-6+.
What are the key properties of 4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one?
4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 347.17 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 26860691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).