1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one

C20H20N2O5 — CID 162660811

IUPAC1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one
SMILESCCn1c(=O)c(C(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H20N2O5/c1-5-22-14-9-7-6-8-13(14)21-17(20(22)24)18(23)12-10-15(25-2)19(27-4)16(11-12)26-3/h6-11H,5H2,1-4H3
InChIKeyTXIBLVIOJWDKSL-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.67
Rot. Bonds6

About 1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one

1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one (PubChem CID 162660811) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one
PubChem CID162660811
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one
SMILESCCn1c(=O)c(C(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H20N2O5/c1-5-22-14-9-7-6-8-13(14)21-17(20(22)24)18(23)12-10-15(25-2)19(27-4)16(11-12)26-3/h6-11H,5H2,1-4H3
InChIKeyTXIBLVIOJWDKSL-UHFFFAOYSA-N
XLogP2.67
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
CID 17417130
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
3-benzoyl-1-pentylquinoxalin-2-one
CID 2016912
3-benzoyl-1-[2-[2-[2-[2-(3-benzoyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]quinoxalin-2-one
CID 102298020
(3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 141466071
(3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 141466061
isoquinolin-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 102334723
[3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141466056
3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 5078150
(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009790

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one?
The IUPAC name of 1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one (CID 162660811) is 1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one?
The canonical SMILES for 1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one is CCn1c(=O)c(C(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of 1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one?
The InChIKey is TXIBLVIOJWDKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-5-22-14-9-7-6-8-13(14)21-17(20(22)24)18(23)12-10-15(25-2)19(27-4)16(11-12)26-3/h6-11H,5H2,1-4H3.
What are the key properties of 1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one?
1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one has a molecular weight of 368.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one is sourced from PubChem (CID 162660811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).