N-(4-phenylbutyl)quinoxaline-2-carboxamide

C19H19N3O — CID 22136414

IUPACN-(4-phenylbutyl)quinoxaline-2-carboxamide
SMILESO=C(NCCCCc1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C19H19N3O/c23-19(18-14-21-16-11-4-5-12-17(16)22-18)20-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,20,23)
InChIKeyIIGDEHIXSXMSSC-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.38
Rot. Bonds6

About N-(4-phenylbutyl)quinoxaline-2-carboxamide

N-(4-phenylbutyl)quinoxaline-2-carboxamide (PubChem CID 22136414) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(4-phenylbutyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutyl)quinoxaline-2-carboxamide
PubChem CID22136414
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(4-phenylbutyl)quinoxaline-2-carboxamide
SMILESO=C(NCCCCc1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C19H19N3O/c23-19(18-14-21-16-11-4-5-12-17(16)22-18)20-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,20,23)
InChIKeyIIGDEHIXSXMSSC-UHFFFAOYSA-N
XLogP3.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-phenylbutyl)quinoxaline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
CID 7536893
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
N-but-3-enylquinoxaline-2-carboxamide
CID 113466022
2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
CID 67154830
6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 103186748
N-(2-azidoethyl)quinoxaline-2-carboxamide
CID 107356589
N-[4-[2-(cyclohexylamino)ethylamino]butyl]quinoxaline-2-carboxamide;dihydrochloride
CID 139937467
5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 107377524
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 81316646
(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid
CID 67154498
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(4-phenylbutyl)quinoxaline-2-carboxamide (CID 22136414) is N-(4-phenylbutyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-phenylbutyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(4-phenylbutyl)quinoxaline-2-carboxamide is O=C(NCCCCc1ccccc1)c1cnc2ccccc2n1.
What is the InChIKey of N-(4-phenylbutyl)quinoxaline-2-carboxamide?
The InChIKey is IIGDEHIXSXMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19(18-14-21-16-11-4-5-12-17(16)22-18)20-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,20,23).
What are the key properties of N-(4-phenylbutyl)quinoxaline-2-carboxamide?
N-(4-phenylbutyl)quinoxaline-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 22136414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).