N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide

C26H33N3O4 — CID 170142220

IUPACN-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide
SMILESCOc1ccc(C2CCOCC2)c2ncc(NC(=O)CC3=CCCC4(CCOCC4)C3)nc12
InChIInChI=1S/C26H33N3O4/c1-31-21-5-4-20(19-6-11-32-12-7-19)24-25(21)29-22(17-27-24)28-23(30)15-18-3-2-8-26(16-18)9-13-33-14-10-26/h3-5,17,19H,2,6-16H2,1H3,(H,28,29,30)
InChIKeyVDWGYNMDUHOJNW-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.77
Rot. Bonds5

About N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide

N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide (PubChem CID 170142220) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide.

Molecular Properties

Compound NameN-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide
PubChem CID170142220
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide
SMILESCOc1ccc(C2CCOCC2)c2ncc(NC(=O)CC3=CCCC4(CCOCC4)C3)nc12
InChIInChI=1S/C26H33N3O4/c1-31-21-5-4-20(19-6-11-32-12-7-19)24-25(21)29-22(17-27-24)28-23(30)15-18-3-2-8-26(16-18)9-13-33-14-10-26/h3-5,17,19H,2,6-16H2,1H3,(H,28,29,30)
InChIKeyVDWGYNMDUHOJNW-UHFFFAOYSA-N
XLogP4.77
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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]-2H-triazole-4-carboxamide
CID 155281389
3-amino-N-[7-methoxy-4-(oxan-4-yl)-1H-benzimidazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 142533421
N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide
CID 11257802
(3S)-3-fluoro-N-[7-methoxy-4-(oxan-4-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxamide
CID 142533388
3-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-1-methyl-1-(oxan-4-yl)urea
CID 11327203
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
4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]benzamide
CID 22719578
4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide
CID 146624004
2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 113024851
5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine
CID 23157885

Frequently Asked Questions

What is the IUPAC name of N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide?
The IUPAC name of N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide (CID 170142220) is N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide.
What is the SMILES notation for N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide?
The canonical SMILES for N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide is COc1ccc(C2CCOCC2)c2ncc(NC(=O)CC3=CCCC4(CCOCC4)C3)nc12.
What is the InChIKey of N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide?
The InChIKey is VDWGYNMDUHOJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-31-21-5-4-20(19-6-11-32-12-7-19)24-25(21)29-22(17-27-24)28-23(30)15-18-3-2-8-26(16-18)9-13-33-14-10-26/h3-5,17,19H,2,6-16H2,1H3,(H,28,29,30).
What are the key properties of N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide?
N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide has a molecular weight of 451.57 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-2-(3-oxaspiro[5.5]undec-9-en-10-yl)acetamide is sourced from PubChem (CID 170142220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).