N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide

C17H18N6O3 — CID 155281389

IUPACN-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(C2CCOCC2)c2ncc(NC(=O)c3cn[nH]n3)nc12
InChIInChI=1S/C17H18N6O3/c1-25-13-3-2-11(10-4-6-26-7-5-10)15-16(13)20-14(9-18-15)21-17(24)12-8-19-23-22-12/h2-3,8-10H,4-7H2,1H3,(H,19,22,23)(H,20,21,24)
InChIKeyYWDHWAOTWNOQGC-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.90
Rot. Bonds4

About N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide

N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide (PubChem CID 155281389) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide
PubChem CID155281389
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC NameN-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide
SMILESCOc1ccc(C2CCOCC2)c2ncc(NC(=O)c3cn[nH]n3)nc12
InChIInChI=1S/C17H18N6O3/c1-25-13-3-2-11(10-4-6-26-7-5-10)15-16(13)20-14(9-18-15)21-17(24)12-8-19-23-22-12/h2-3,8-10H,4-7H2,1H3,(H,19,22,23)(H,20,21,24)
InChIKeyYWDHWAOTWNOQGC-UHFFFAOYSA-N
XLogP1.90
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,2,2-trifluoro-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]acetamide
CID 151258808
N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide
CID 170142220
3-amino-N-[7-methoxy-4-(oxan-4-yl)-1H-benzimidazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 142533421
(3S)-3-fluoro-N-[7-methoxy-4-(oxan-4-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxamide
CID 142533388
N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide
CID 11257802
2-(chloromethyl)-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 22719561
2-bromo-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzoxazol-2-yl]pyridine-4-carboxamide
CID 22252232
3-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-1-methyl-1-(oxan-4-yl)urea
CID 11327203
N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 47381384
N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 78969253
N-(2-chloropyrimidin-4-yl)-2H-triazole-4-carboxamide
CID 116795222
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-6-(oxolan-3-yloxy)pyridine-2-carboxamide
CID 23204546

Frequently Asked Questions

What is the IUPAC name of N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide (CID 155281389) is N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide is COc1ccc(C2CCOCC2)c2ncc(NC(=O)c3cn[nH]n3)nc12.
What is the InChIKey of N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide?
The InChIKey is YWDHWAOTWNOQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-25-13-3-2-11(10-4-6-26-7-5-10)15-16(13)20-14(9-18-15)21-17(24)12-8-19-23-22-12/h2-3,8-10H,4-7H2,1H3,(H,19,22,23)(H,20,21,24).
What are the key properties of N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide?
N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 155281389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).