methyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate

C20H20N2O7 — CID 141462648

IUPACmethyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H20N2O7/c1-26-15-8-12(9-16(27-2)18(15)28-3)19(24)22-10-17(23)21-13-7-11(20(25)29-4)5-6-14(13)22/h5-9H,10H2,1-4H3,(H,21,23)
InChIKeyHCNPJUUHEBLCPM-UHFFFAOYSA-N
MW400.39 g/mol
LogP2.10
Rot. Bonds5

About methyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate

methyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate (PubChem CID 141462648) has the molecular formula C20H20N2O7 and a molecular weight of 400.39 g/mol. Its IUPAC name is methyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate
PubChem CID141462648
Molecular FormulaC20H20N2O7
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Namemethyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H20N2O7/c1-26-15-8-12(9-16(27-2)18(15)28-3)19(24)22-10-17(23)21-13-7-11(20(25)29-4)5-6-14(13)22/h5-9H,10H2,1-4H3,(H,21,23)
InChIKeyHCNPJUUHEBLCPM-UHFFFAOYSA-N
XLogP2.10
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Vesnarinone
CID 5663
Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6457069
4-(3,5-Dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 2420253
2-Methyl-1-(3,4,5-trimethoxybenzoyl)-1,2,3,4-tetrahydroquinoline
CID 2929726
[4-(2,3-Dimethylphenyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone
CID 1262756
(4-(2,4-Dimethylphenyl)piperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone
CID 1263319
3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 2803242
1-(4-Phenylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 53383761
3,4,5-Trimethoxy-N-(9-phenylcarbamoylmethyl-9-aza-bicyclo[3.3.1]non-3-yl)-benzamide
CID 653186
3,4,5-Trimethoxy-N-(7-nitro-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-5-ylmethyl)-benzamide
CID 18706742
N-[3-hydroxy-4-(piperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 90643793
3-[(3,4-Dimethoxybenzoyl)amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
CID 122187957

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate?
The IUPAC name of methyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate (CID 141462648) is methyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate?
The canonical SMILES for methyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate is COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate?
The InChIKey is HCNPJUUHEBLCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O7/c1-26-15-8-12(9-16(27-2)18(15)28-3)19(24)22-10-17(23)21-13-7-11(20(25)29-4)5-6-14(13)22/h5-9H,10H2,1-4H3,(H,21,23).
What are the key properties of methyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate?
methyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate has a molecular weight of 400.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-1-(3,4,5-trimethoxybenzoyl)-2,4-dihydroquinoxaline-6-carboxylate is sourced from PubChem (CID 141462648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).