3-tert-butyl-2-chloro-8-ethylquinoline

C15H18ClN — CID 63382109

IUPAC3-tert-butyl-2-chloro-8-ethylquinoline
SMILESCCc1cccc2cc(C(C)(C)C)c(Cl)nc12
InChIInChI=1S/C15H18ClN/c1-5-10-7-6-8-11-9-12(15(2,3)4)14(16)17-13(10)11/h6-9H,5H2,1-4H3
InChIKeyUGGYSFCVCFFHSK-UHFFFAOYSA-N
MW247.77 g/mol
LogP4.75
Rot. Bonds1

About 3-tert-butyl-2-chloro-8-ethylquinoline

3-tert-butyl-2-chloro-8-ethylquinoline (PubChem CID 63382109) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is 3-tert-butyl-2-chloro-8-ethylquinoline.

Molecular Properties

Compound Name3-tert-butyl-2-chloro-8-ethylquinoline
PubChem CID63382109
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name3-tert-butyl-2-chloro-8-ethylquinoline
SMILESCCc1cccc2cc(C(C)(C)C)c(Cl)nc12
InChIInChI=1S/C15H18ClN/c1-5-10-7-6-8-11-9-12(15(2,3)4)14(16)17-13(10)11/h6-9H,5H2,1-4H3
InChIKeyUGGYSFCVCFFHSK-UHFFFAOYSA-N
XLogP4.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-tert-butyl-2-chloro-8-ethylquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-chloro-8-ethylquinoline?
The IUPAC name of 3-tert-butyl-2-chloro-8-ethylquinoline (CID 63382109) is 3-tert-butyl-2-chloro-8-ethylquinoline.
What is the SMILES notation for 3-tert-butyl-2-chloro-8-ethylquinoline?
The canonical SMILES for 3-tert-butyl-2-chloro-8-ethylquinoline is CCc1cccc2cc(C(C)(C)C)c(Cl)nc12.
What is the InChIKey of 3-tert-butyl-2-chloro-8-ethylquinoline?
The InChIKey is UGGYSFCVCFFHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN/c1-5-10-7-6-8-11-9-12(15(2,3)4)14(16)17-13(10)11/h6-9H,5H2,1-4H3.
What are the key properties of 3-tert-butyl-2-chloro-8-ethylquinoline?
3-tert-butyl-2-chloro-8-ethylquinoline has a molecular weight of 247.77 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-chloro-8-ethylquinoline is sourced from PubChem (CID 63382109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).