N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide

C33H37N3O7 — CID 46368946

IUPACN-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide
SMILESCOc1cc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3nc2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C33H37N3O7/c1-38-25-15-20(16-26(39-2)31(25)42-5)29-30(21-17-27(40-3)32(43-6)28(18-21)41-4)36-24-14-19(12-13-23(24)35-29)33(37)34-22-10-8-7-9-11-22/h12-18,22H,7-11H2,1-6H3,(H,34,37)
InChIKeyLKUWBADHOWELTJ-UHFFFAOYSA-N
MW587.67 g/mol
LogP6.08
Rot. Bonds10

About N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide

N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide (PubChem CID 46368946) has the molecular formula C33H37N3O7 and a molecular weight of 587.67 g/mol. Its IUPAC name is N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide
PubChem CID46368946
Molecular FormulaC33H37N3O7
Molecular Weight587.67 g/mol
Exact Mass587.26
IUPAC NameN-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide
SMILESCOc1cc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3nc2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C33H37N3O7/c1-38-25-15-20(16-26(39-2)31(25)42-5)29-30(21-17-27(40-3)32(43-6)28(18-21)41-4)36-24-14-19(12-13-23(24)35-29)33(37)34-22-10-8-7-9-11-22/h12-18,22H,7-11H2,1-6H3,(H,34,37)
InChIKeyLKUWBADHOWELTJ-UHFFFAOYSA-N
XLogP6.08
TPSA110.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.67
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
CID 22588027
N-cyclopentyl-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
CID 3236343
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-cyclopentyl-4-iodo-3-methoxybenzamide
CID 155908716
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide (CID 46368946) is N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide is COc1cc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3nc2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide?
The InChIKey is LKUWBADHOWELTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O7/c1-38-25-15-20(16-26(39-2)31(25)42-5)29-30(21-17-27(40-3)32(43-6)28(18-21)41-4)36-24-14-19(12-13-23(24)35-29)33(37)34-22-10-8-7-9-11-22/h12-18,22H,7-11H2,1-6H3,(H,34,37).
What are the key properties of N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide?
N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide has a molecular weight of 587.67 g/mol, XLogP of 6.08, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,3-bis(3,4,5-trimethoxyphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 46368946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).