N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide

C17H15N3O2 — CID 110701358

IUPACN-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3nccnc23)cc1
InChIInChI=1S/C17H15N3O2/c1-22-13-7-5-12(6-8-13)11-20-17(21)14-3-2-4-15-16(14)19-10-9-18-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyOZCYUWUNLPZLCU-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.57
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide

N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide (PubChem CID 110701358) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
PubChem CID110701358
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3nccnc23)cc1
InChIInChI=1S/C17H15N3O2/c1-22-13-7-5-12(6-8-13)11-20-17(21)14-3-2-4-15-16(14)19-10-9-18-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyOZCYUWUNLPZLCU-UHFFFAOYSA-N
XLogP2.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
N-[(2-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701357
N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide
CID 131903322
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide
CID 91065050
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
CID 166244848
N-(2-methoxyethoxy)quinoxaline-5-carboxamide
CID 113428897
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 103975255
2-(quinoxaline-5-carbonylamino)ethyl acetate
CID 150834987

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide (CID 110701358) is N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide is COc1ccc(CNC(=O)c2cccc3nccnc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide?
The InChIKey is OZCYUWUNLPZLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-13-7-5-12(6-8-13)11-20-17(21)14-3-2-4-15-16(14)19-10-9-18-15/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide?
N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 110701358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).