N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide

C17H15N3O2 — CID 654229

IUPACN-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-5-2-12(3-6-14)11-20-17(21)13-4-7-15-16(10-13)19-9-8-18-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyCQHKQYSHFWCLKE-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.57
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide

N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide (PubChem CID 654229) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide
PubChem CID654229
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-5-2-12(3-6-14)11-20-17(21)13-4-7-15-16(10-13)19-9-8-18-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyCQHKQYSHFWCLKE-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

4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2978966
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
3-(4-Methoxyphenyl)quinoxaline-5-carboxamide
CID 9965481
4-methoxy-N-quinolin-6-ylbenzamide
CID 1506499
3,5-dimethoxy-N-(8-quinolinyl)benzamide
CID 835394
2-methoxy-N-quinolin-8-ylbenzamide
CID 836519
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 4915921
4-{4-Oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}-N-{[4-(propan-2-yloxy)phenyl]methyl}butanamide
CID 16018214
N-[2-[(2S)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164624962
2-ethoxy-N-quinolin-8-ylbenzamide
CID 836546

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide (CID 654229) is N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide is COc1ccc(CNC(=O)c2ccc3nccnc3c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide?
The InChIKey is CQHKQYSHFWCLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-14-5-2-12(3-6-14)11-20-17(21)13-4-7-15-16(10-13)19-9-8-18-15/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide?
N-[(4-methoxyphenyl)methyl]quinoxaline-6-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-6-carboxamide is sourced from PubChem (CID 654229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).