N-(2-azidoethyl)quinoline-5-carboxamide

C12H11N5O — CID 55126604

IUPACN-(2-azidoethyl)quinoline-5-carboxamide
SMILES[N-]=[N+]=NCCNC(=O)c1cccc2ncccc12
InChIInChI=1S/C12H11N5O/c13-17-16-8-7-15-12(18)10-3-1-5-11-9(10)4-2-6-14-11/h1-6H,7-8H2,(H,15,18)
InChIKeyARIWXZKBABZICB-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.27
Rot. Bonds4

About N-(2-azidoethyl)quinoline-5-carboxamide

N-(2-azidoethyl)quinoline-5-carboxamide (PubChem CID 55126604) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(2-azidoethyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-azidoethyl)quinoline-5-carboxamide
PubChem CID55126604
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC NameN-(2-azidoethyl)quinoline-5-carboxamide
SMILES[N-]=[N+]=NCCNC(=O)c1cccc2ncccc12
InChIInChI=1S/C12H11N5O/c13-17-16-8-7-15-12(18)10-3-1-5-11-9(10)4-2-6-14-11/h1-6H,7-8H2,(H,15,18)
InChIKeyARIWXZKBABZICB-UHFFFAOYSA-N
XLogP2.27
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-(2-azidoethyl)quinoline-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-(4-azidobutyl)quinoline-4-carboxamide
CID 106386810
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
N-[(4-aminophenyl)methyl]quinoline-5-carboxamide
CID 62849516
N-(4-hydroxypentyl)quinoline-5-carboxamide
CID 107300441
N-(2-azidoethyl)-3-methylpyridine-2-carboxamide
CID 55210380
N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
CID 62875902
N-(4-azidobutyl)-2-methylpyridine-3-carboxamide
CID 106386346
N-[3-(2-aminoethoxy)propyl]quinoline-5-carboxamide
CID 106307791
N-(3-bromo-2,2-dimethylpropyl)quinoline-5-carboxamide
CID 115364916
N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide
CID 115668807
1-ethyl-3-(quinoline-5-carbonylamino)urea
CID 75417515
N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide
CID 26035305

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)quinoline-5-carboxamide?
The IUPAC name of N-(2-azidoethyl)quinoline-5-carboxamide (CID 55126604) is N-(2-azidoethyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(2-azidoethyl)quinoline-5-carboxamide?
The canonical SMILES for N-(2-azidoethyl)quinoline-5-carboxamide is [N-]=[N+]=NCCNC(=O)c1cccc2ncccc12.
What is the InChIKey of N-(2-azidoethyl)quinoline-5-carboxamide?
The InChIKey is ARIWXZKBABZICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-17-16-8-7-15-12(18)10-3-1-5-11-9(10)4-2-6-14-11/h1-6H,7-8H2,(H,15,18).
What are the key properties of N-(2-azidoethyl)quinoline-5-carboxamide?
N-(2-azidoethyl)quinoline-5-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)quinoline-5-carboxamide is sourced from PubChem (CID 55126604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).