2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide

C30H33N3O6 — CID 22588013

IUPAC2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide
SMILESCCOCCCNC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(-c3ccc(OC)c(OC)c3)nc2c1
InChIInChI=1S/C30H33N3O6/c1-6-39-15-7-14-31-30(34)21-8-11-22-23(16-21)33-29(20-10-13-25(36-3)27(18-20)38-5)28(32-22)19-9-12-24(35-2)26(17-19)37-4/h8-13,16-18H,6-7,14-15H2,1-5H3,(H,31,34)
InChIKeyOAXBUWSKAJDLSA-UHFFFAOYSA-N
MW531.61 g/mol
LogP5.15
Rot. Bonds12

About 2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide

2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide (PubChem CID 22588013) has the molecular formula C30H33N3O6 and a molecular weight of 531.61 g/mol. Its IUPAC name is 2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide
PubChem CID22588013
Molecular FormulaC30H33N3O6
Molecular Weight531.61 g/mol
Exact Mass531.24
IUPAC Name2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide
SMILESCCOCCCNC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(-c3ccc(OC)c(OC)c3)nc2c1
InChIInChI=1S/C30H33N3O6/c1-6-39-15-7-14-31-30(34)21-8-11-22-23(16-21)33-29(20-10-13-25(36-3)27(18-20)38-5)28(32-22)19-9-12-24(35-2)26(17-19)37-4/h8-13,16-18H,6-7,14-15H2,1-5H3,(H,31,34)
InChIKeyOAXBUWSKAJDLSA-UHFFFAOYSA-N
XLogP5.15
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.61
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide (CID 22588013) is 2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide is CCOCCCNC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(-c3ccc(OC)c(OC)c3)nc2c1.
What is the InChIKey of 2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide?
The InChIKey is OAXBUWSKAJDLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O6/c1-6-39-15-7-14-31-30(34)21-8-11-22-23(16-21)33-29(20-10-13-25(36-3)27(18-20)38-5)28(32-22)19-9-12-24(35-2)26(17-19)37-4/h8-13,16-18H,6-7,14-15H2,1-5H3,(H,31,34).
What are the key properties of 2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide?
2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide has a molecular weight of 531.61 g/mol, XLogP of 5.15, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 22588013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).