[2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate

C15H13N3O2 — CID 174671124

IUPAC[2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate
SMILESO=COC(Cc1cnc[nH]1)c1cccc2cccnc12
InChIInChI=1S/C15H13N3O2/c19-10-20-14(7-12-8-16-9-18-12)13-5-1-3-11-4-2-6-17-15(11)13/h1-6,8-10,14H,7H2,(H,16,18)
InChIKeyIAFIXOKPIXFHHZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.41
Rot. Bonds5

About [2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate

[2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate (PubChem CID 174671124) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is [2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate.

Molecular Properties

Compound Name[2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate
PubChem CID174671124
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name[2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate
SMILESO=COC(Cc1cnc[nH]1)c1cccc2cccnc12
InChIInChI=1S/C15H13N3O2/c19-10-20-14(7-12-8-16-9-18-12)13-5-1-3-11-4-2-6-17-15(11)13/h1-6,8-10,14H,7H2,(H,16,18)
InChIKeyIAFIXOKPIXFHHZ-UHFFFAOYSA-N
XLogP2.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate 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

8-[1H-imidazol-5-yl(phenyl)methyl]quinoline
CID 25122151
8-[1H-imidazol-5-yl(pyridin-2-yl)methyl]quinoline
CID 59419672
N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide
CID 4619893
2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole
CID 14742548
N-[1-formyloxy-2-(1H-imidazol-5-yl)ethyl]-methylboronamidic acid
CID 140926186
(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine
CID 165485208
8-(dichloromethyl)quinoline
CID 19989328
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
2-(4-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969152
methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
methyl (2S)-3-(1H-imidazol-5-yl)-2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 139821931

Frequently Asked Questions

What is the IUPAC name of [2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate?
The IUPAC name of [2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate (CID 174671124) is [2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate.
What is the SMILES notation for [2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate?
The canonical SMILES for [2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate is O=COC(Cc1cnc[nH]1)c1cccc2cccnc12.
What is the InChIKey of [2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate?
The InChIKey is IAFIXOKPIXFHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-10-20-14(7-12-8-16-9-18-12)13-5-1-3-11-4-2-6-17-15(11)13/h1-6,8-10,14H,7H2,(H,16,18).
What are the key properties of [2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate?
[2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate has a molecular weight of 267.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-imidazol-5-yl)-1-quinolin-8-ylethyl] formate is sourced from PubChem (CID 174671124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).