N-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide

C20H19N3O3 — CID 2464350

IUPACN-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2nc1CC
InChIInChI=1S/C20H19N3O3/c1-3-14-15(4-2)23-17-9-12(5-7-16(17)22-14)20(24)21-13-6-8-18-19(10-13)26-11-25-18/h5-10H,3-4,11H2,1-2H3,(H,21,24)
InChIKeyAHNRKXJEHDLKTF-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.74
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide

N-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide (PubChem CID 2464350) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide
PubChem CID2464350
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2nc1CC
InChIInChI=1S/C20H19N3O3/c1-3-14-15(4-2)23-17-9-12(5-7-16(17)22-14)20(24)21-13-6-8-18-19(10-13)26-11-25-18/h5-10H,3-4,11H2,1-2H3,(H,21,24)
InChIKeyAHNRKXJEHDLKTF-UHFFFAOYSA-N
XLogP3.74
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide
CID 2823673
N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxamide
CID 654879
N-(1,3-benzodioxol-5-yl)-6-methyl-2-(2-pyridinyl)-4-quinolinecarboxamide
CID 1261604
N-(2,3-dihydro-1,4-benzodioxin-6-yl)phenazine-1-carboxamide
CID 4617636
N-(sec-butyl)-2,3-bis(3,4-dimethoxyphenyl)quinoxaline-6-carboxamide
CID 5071619
N-(2,2-dimethoxyethyl)-2,3-bis(3,4-dimethoxyphenyl)quinoxaline-6-carboxamide
CID 5071625
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-diethylquinoxaline-6-carboxamide
CID 16033510
2,3-bis(3,4-dimethoxyphenyl)-N-(3-ethoxypropyl)quinoxaline-6-carboxamide
CID 22588013
N-(3,4-dimethoxyphenyl)-1-(6-quinoxalinylcarbonyl)-3-piperidinamine
CID 24794345
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide
CID 24982620
N-(2-methoxyphenyl)-2,3-dimethyl-6-quinoxalinecarboxamide
CID 2231787
N-(1,3-benzodioxol-5-yl)-5-ethyl-1H-indole-2-carboxamide
CID 2823650

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide (CID 2464350) is N-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide is CCc1nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2nc1CC.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide?
The InChIKey is AHNRKXJEHDLKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-14-15(4-2)23-17-9-12(5-7-16(17)22-14)20(24)21-13-6-8-18-19(10-13)26-11-25-18/h5-10H,3-4,11H2,1-2H3,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide?
N-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2,3-diethylquinoxaline-6-carboxamide is sourced from PubChem (CID 2464350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).