N-(2-phenylethyl)quinoxaline-2-carboxamide

C17H15N3O — CID 5300647

IUPACN-(2-phenylethyl)quinoxaline-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C17H15N3O/c21-17(18-11-10-13-6-2-1-3-7-13)16-12-19-14-8-4-5-9-15(14)20-16/h1-9,12H,10-11H2,(H,18,21)
InChIKeyVCRCXANKNYQHIW-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.60
Rot. Bonds4

About N-(2-phenylethyl)quinoxaline-2-carboxamide

N-(2-phenylethyl)quinoxaline-2-carboxamide (PubChem CID 5300647) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(2-phenylethyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)quinoxaline-2-carboxamide
PubChem CID5300647
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(2-phenylethyl)quinoxaline-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C17H15N3O/c21-17(18-11-10-13-6-2-1-3-7-13)16-12-19-14-8-4-5-9-15(14)20-16/h1-9,12H,10-11H2,(H,18,21)
InChIKeyVCRCXANKNYQHIW-UHFFFAOYSA-N
XLogP2.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)quinoxaline-2-carboxamide (CID 5300647) is N-(2-phenylethyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)quinoxaline-2-carboxamide is O=C(NCCc1ccccc1)c1cnc2ccccc2n1.
What is the InChIKey of N-(2-phenylethyl)quinoxaline-2-carboxamide?
The InChIKey is VCRCXANKNYQHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17(18-11-10-13-6-2-1-3-7-13)16-12-19-14-8-4-5-9-15(14)20-16/h1-9,12H,10-11H2,(H,18,21).
What are the key properties of N-(2-phenylethyl)quinoxaline-2-carboxamide?
N-(2-phenylethyl)quinoxaline-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 5300647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).