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

C19H16F2N2O4 — CID 17456605

IUPAC4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1cccc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)c1OC(F)F
InChIInChI=1S/C19H16F2N2O4/c1-26-15-8-4-5-12(18(15)27-19(20)21)9-10-17(25)23-11-16(24)22-13-6-2-3-7-14(13)23/h2-10,19H,11H2,1H3,(H,22,24)/b10-9+
InChIKeyZGQPKEDUJMHQBP-MDZDMXLPSA-N
MW374.34 g/mol
LogP3.30
Rot. Bonds5

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

4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 17456605) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is 4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID17456605
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC Name4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1cccc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)c1OC(F)F
InChIInChI=1S/C19H16F2N2O4/c1-26-15-8-4-5-12(18(15)27-19(20)21)9-10-17(25)23-11-16(24)22-13-6-2-3-7-14(13)23/h2-10,19H,11H2,1H3,(H,22,24)/b10-9+
InChIKeyZGQPKEDUJMHQBP-MDZDMXLPSA-N
XLogP3.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55798612
4-[3-(2-methoxyphenyl)prop-2-enoyl]piperazine-2,6-dione
CID 77111354
2-[4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 24679935
4-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 52561683
4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one
CID 17466737
4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 2547943
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 8936357
4-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 26860691
cyclohexyl (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 60599243
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one
CID 55599359
(E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]prop-2-en-1-one
CID 9153861

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one (CID 17456605) is 4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one is COc1cccc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)c1OC(F)F.
What is the InChIKey of 4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is ZGQPKEDUJMHQBP-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H16F2N2O4/c1-26-15-8-4-5-12(18(15)27-19(20)21)9-10-17(25)23-11-16(24)22-13-6-2-3-7-14(13)23/h2-10,19H,11H2,1H3,(H,22,24)/b10-9+.
What are the key properties of 4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one?
4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 374.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 17456605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).