N-(2-phenylpropyl)quinoxaline-2-carboxamide

C18H17N3O — CID 22136331

IUPACN-(2-phenylpropyl)quinoxaline-2-carboxamide
SMILESCC(CNC(=O)c1cnc2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H17N3O/c1-13(14-7-3-2-4-8-14)11-20-18(22)17-12-19-15-9-5-6-10-16(15)21-17/h2-10,12-13H,11H2,1H3,(H,20,22)
InChIKeyUWOAOBCILHACGX-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.16
Rot. Bonds4

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

N-(2-phenylpropyl)quinoxaline-2-carboxamide (PubChem CID 22136331) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-phenylpropyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)quinoxaline-2-carboxamide
PubChem CID22136331
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(2-phenylpropyl)quinoxaline-2-carboxamide
SMILESCC(CNC(=O)c1cnc2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H17N3O/c1-13(14-7-3-2-4-8-14)11-20-18(22)17-12-19-15-9-5-6-10-16(15)21-17/h2-10,12-13H,11H2,1H3,(H,20,22)
InChIKeyUWOAOBCILHACGX-UHFFFAOYSA-N
XLogP3.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(2-phenylpropyl)quinoxaline-2-carboxamide (CID 22136331) is N-(2-phenylpropyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-phenylpropyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-phenylpropyl)quinoxaline-2-carboxamide is CC(CNC(=O)c1cnc2ccccc2n1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)quinoxaline-2-carboxamide?
The InChIKey is UWOAOBCILHACGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13(14-7-3-2-4-8-14)11-20-18(22)17-12-19-15-9-5-6-10-16(15)21-17/h2-10,12-13H,11H2,1H3,(H,20,22).
What are the key properties of N-(2-phenylpropyl)quinoxaline-2-carboxamide?
N-(2-phenylpropyl)quinoxaline-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 22136331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).