N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide

C19H19N3O2 — CID 42928541

IUPACN-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-24-16-7-4-14(5-8-16)13(2)22-19(23)15-6-9-17-18(12-15)21-11-10-20-17/h4-13H,3H2,1-2H3,(H,22,23)
InChIKeyZSJBEKLYPGZYSX-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.52
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide

N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide (PubChem CID 42928541) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide
PubChem CID42928541
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-24-16-7-4-14(5-8-16)13(2)22-19(23)15-6-9-17-18(12-15)21-11-10-20-17/h4-13H,3H2,1-2H3,(H,22,23)
InChIKeyZSJBEKLYPGZYSX-UHFFFAOYSA-N
XLogP3.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
CID 51292630
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40637184
5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 51292691
N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 55759452
N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 134010257
3-chloro-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 38015785
N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848119
2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate
CID 7676700

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide (CID 42928541) is N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide is CCOc1ccc(C(C)NC(=O)c2ccc3nccnc3c2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide?
The InChIKey is ZSJBEKLYPGZYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-24-16-7-4-14(5-8-16)13(2)22-19(23)15-6-9-17-18(12-15)21-11-10-20-17/h4-13H,3H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide?
N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 42928541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).