3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one

C23H23N3O6 — CID 136727434

IUPAC3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one
SMILESCOc1ccc(C(O)=Cc2nc3ccc(C(=O)N4CCOCC4)cc3[nH]c2=O)cc1OC
InChIInChI=1S/C23H23N3O6/c1-30-20-6-4-14(12-21(20)31-2)19(27)13-18-22(28)25-17-11-15(3-5-16(17)24-18)23(29)26-7-9-32-10-8-26/h3-6,11-13,27H,7-10H2,1-2H3,(H,25,28)
InChIKeyDRQFTYKPRINVID-UHFFFAOYSA-N
MW437.45 g/mol
LogP2.47
Rot. Bonds5

About 3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one

3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one (PubChem CID 136727434) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one
PubChem CID136727434
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one
SMILESCOc1ccc(C(O)=Cc2nc3ccc(C(=O)N4CCOCC4)cc3[nH]c2=O)cc1OC
InChIInChI=1S/C23H23N3O6/c1-30-20-6-4-14(12-21(20)31-2)19(27)13-18-22(28)25-17-11-15(3-5-16(17)24-18)23(29)26-7-9-32-10-8-26/h3-6,11-13,27H,7-10H2,1-2H3,(H,25,28)
InChIKeyDRQFTYKPRINVID-UHFFFAOYSA-N
XLogP2.47
TPSA113.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinoxalin-2-one
CID 136817919
7-[4-(furan-2-yl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 136727409
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 136727445
1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one
CID 135163730
3-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinoxalin-2-one
CID 135949253
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
CID 177077642
2-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135899756
N-(1-benzylpiperidin-4-yl)-2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949211
2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide
CID 177077740
[2-methoxy-4-(morpholine-4-carbothioyl)phenyl] benzoate
CID 1102766

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one (CID 136727434) is 3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one is COc1ccc(C(O)=Cc2nc3ccc(C(=O)N4CCOCC4)cc3[nH]c2=O)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one?
The InChIKey is DRQFTYKPRINVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-30-20-6-4-14(12-21(20)31-2)19(27)13-18-22(28)25-17-11-15(3-5-16(17)24-18)23(29)26-7-9-32-10-8-26/h3-6,11-13,27H,7-10H2,1-2H3,(H,25,28).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one?
3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one has a molecular weight of 437.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethenyl]-7-(morpholine-4-carbonyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 136727434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).