N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide

C14H18N4O — CID 104615443

IUPACN-[3-(ethylamino)propyl]quinoxaline-5-carboxamide
SMILESCCNCCCNC(=O)c1cccc2nccnc12
InChIInChI=1S/C14H18N4O/c1-2-15-7-4-8-18-14(19)11-5-3-6-12-13(11)17-10-9-16-12/h3,5-6,9-10,15H,2,4,7-8H2,1H3,(H,18,19)
InChIKeySBNPRSLWNLMBLV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.36
Rot. Bonds6

About N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide

N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide (PubChem CID 104615443) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]quinoxaline-5-carboxamide
PubChem CID104615443
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[3-(ethylamino)propyl]quinoxaline-5-carboxamide
SMILESCCNCCCNC(=O)c1cccc2nccnc12
InChIInChI=1S/C14H18N4O/c1-2-15-7-4-8-18-14(19)11-5-3-6-12-13(11)17-10-9-16-12/h3,5-6,9-10,15H,2,4,7-8H2,1H3,(H,18,19)
InChIKeySBNPRSLWNLMBLV-UHFFFAOYSA-N
XLogP1.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(ethylamino)propyl]quinoxaline-5-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-pent-4-ynylquinoxaline-5-carboxamide
CID 113428882
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
CID 74240949
2-(quinoxaline-5-carbonylamino)ethyl acetate
CID 150834987
N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743
N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
CID 82829925
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610
N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
CID 43601624
N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide
CID 106245167
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide (CID 104615443) is N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide is CCNCCCNC(=O)c1cccc2nccnc12.
What is the InChIKey of N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide?
The InChIKey is SBNPRSLWNLMBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-15-7-4-8-18-14(19)11-5-3-6-12-13(11)17-10-9-16-12/h3,5-6,9-10,15H,2,4,7-8H2,1H3,(H,18,19).
What are the key properties of N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide?
N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 104615443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).