4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one

C20H20N2O4 — CID 17466737

IUPAC4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESC/C=C/c1cc(C(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-4-7-13-10-14(11-17(25-2)19(13)26-3)20(24)22-12-18(23)21-15-8-5-6-9-16(15)22/h4-11H,12H2,1-3H3,(H,21,23)/b7-4+
InChIKeySJFDCHDFARVIFU-QPJJXVBHSA-N
MW352.39 g/mol
LogP3.34
Rot. Bonds4

About 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one

4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 17466737) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID17466737
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESC/C=C/c1cc(C(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-4-7-13-10-14(11-17(25-2)19(13)26-3)20(24)22-12-18(23)21-15-8-5-6-9-16(15)22/h4-11H,12H2,1-3H3,(H,21,23)/b7-4+
InChIKeySJFDCHDFARVIFU-QPJJXVBHSA-N
XLogP3.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 30713300
3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750751
4-(2,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16864034
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 26263034
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16863988
4-(2-methylpyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106753524
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 3902357
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667501
4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 17456605

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one (CID 17466737) is 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one is C/C=C/c1cc(C(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC.
What is the InChIKey of 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is SJFDCHDFARVIFU-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-4-7-13-10-14(11-17(25-2)19(13)26-3)20(24)22-12-18(23)21-15-8-5-6-9-16(15)22/h4-11H,12H2,1-3H3,(H,21,23)/b7-4+.
What are the key properties of 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one?
4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 352.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 17466737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).