[2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate

C17H16N2O2 — CID 174621263

IUPAC[2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate
SMILESO=COC(Cc1cccc2c1CCC=N2)c1cccnc1
InChIInChI=1S/C17H16N2O2/c20-12-21-17(14-5-2-8-18-11-14)10-13-4-1-7-16-15(13)6-3-9-19-16/h1-2,4-5,7-9,11-12,17H,3,6,10H2
InChIKeyAJZSNMBJAORVKD-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.19
Rot. Bonds5

About [2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate

[2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate (PubChem CID 174621263) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is [2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate.

Molecular Properties

Compound Name[2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate
PubChem CID174621263
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name[2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate
SMILESO=COC(Cc1cccc2c1CCC=N2)c1cccnc1
InChIInChI=1S/C17H16N2O2/c20-12-21-17(14-5-2-8-18-11-14)10-13-4-1-7-16-15(13)6-3-9-19-16/h1-2,4-5,7-9,11-12,17H,3,6,10H2
InChIKeyAJZSNMBJAORVKD-UHFFFAOYSA-N
XLogP3.19
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-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

[1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate
CID 175251940
[2-(1H-imidazol-5-yl)-1-pyridin-3-ylethyl] formate
CID 174680806
5-ethyl-3,4-dihydroquinoline
CID 175305665
5-bromo-3,4-dihydroquinoline
CID 175823100
(1-amino-2-pyridin-3-ylethyl) formate
CID 174641191
2-cyclopropyl-2-pyridin-3-ylacetaldehyde
CID 83826601
amino(pyridin-3-yl)methanethiol
CID 116939546
2-cyclobutyloxy-2-pyridin-3-ylethanamine
CID 62115429
2-(2,3-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 21148415
3-pyridin-3-ylbutanal
CID 12727117
2-(2-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299211
ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide
CID 144904685

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate?
The IUPAC name of [2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate (CID 174621263) is [2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate.
What is the SMILES notation for [2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate?
The canonical SMILES for [2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate is O=COC(Cc1cccc2c1CCC=N2)c1cccnc1.
What is the InChIKey of [2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate?
The InChIKey is AJZSNMBJAORVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-12-21-17(14-5-2-8-18-11-14)10-13-4-1-7-16-15(13)6-3-9-19-16/h1-2,4-5,7-9,11-12,17H,3,6,10H2.
What are the key properties of [2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate?
[2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate has a molecular weight of 280.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate is sourced from PubChem (CID 174621263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).