N-cyclooctylquinoxaline-2-carboxamide

C17H21N3O — CID 22136387

IUPACN-cyclooctylquinoxaline-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cnc2ccccc2n1
InChIInChI=1S/C17H21N3O/c21-17(19-13-8-4-2-1-3-5-9-13)16-12-18-14-10-6-7-11-15(14)20-16/h6-7,10-13H,1-5,8-9H2,(H,19,21)
InChIKeyWQSYUSKECLRPAO-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.47
Rot. Bonds2

About N-cyclooctylquinoxaline-2-carboxamide

N-cyclooctylquinoxaline-2-carboxamide (PubChem CID 22136387) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-cyclooctylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-cyclooctylquinoxaline-2-carboxamide
PubChem CID22136387
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-cyclooctylquinoxaline-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cnc2ccccc2n1
InChIInChI=1S/C17H21N3O/c21-17(19-13-8-4-2-1-3-5-9-13)16-12-18-14-10-6-7-11-15(14)20-16/h6-7,10-13H,1-5,8-9H2,(H,19,21)
InChIKeyWQSYUSKECLRPAO-UHFFFAOYSA-N
XLogP3.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctylquinoxaline-2-carboxamide?
The IUPAC name of N-cyclooctylquinoxaline-2-carboxamide (CID 22136387) is N-cyclooctylquinoxaline-2-carboxamide.
What is the SMILES notation for N-cyclooctylquinoxaline-2-carboxamide?
The canonical SMILES for N-cyclooctylquinoxaline-2-carboxamide is O=C(NC1CCCCCCC1)c1cnc2ccccc2n1.
What is the InChIKey of N-cyclooctylquinoxaline-2-carboxamide?
The InChIKey is WQSYUSKECLRPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(19-13-8-4-2-1-3-5-9-13)16-12-18-14-10-6-7-11-15(14)20-16/h6-7,10-13H,1-5,8-9H2,(H,19,21).
What are the key properties of N-cyclooctylquinoxaline-2-carboxamide?
N-cyclooctylquinoxaline-2-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctylquinoxaline-2-carboxamide is sourced from PubChem (CID 22136387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).