6-benzyl-2-chloro-3-ethylquinoline

C18H16ClN — CID 59459863

IUPAC6-benzyl-2-chloro-3-ethylquinoline
SMILESCCc1cc2cc(Cc3ccccc3)ccc2nc1Cl
InChIInChI=1S/C18H16ClN/c1-2-15-12-16-11-14(8-9-17(16)20-18(15)19)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3
InChIKeySZTDXULUWSTDDC-UHFFFAOYSA-N
MW281.79 g/mol
LogP5.04
Rot. Bonds3

About 6-benzyl-2-chloro-3-ethylquinoline

6-benzyl-2-chloro-3-ethylquinoline (PubChem CID 59459863) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 6-benzyl-2-chloro-3-ethylquinoline.

Molecular Properties

Compound Name6-benzyl-2-chloro-3-ethylquinoline
PubChem CID59459863
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name6-benzyl-2-chloro-3-ethylquinoline
SMILESCCc1cc2cc(Cc3ccccc3)ccc2nc1Cl
InChIInChI=1S/C18H16ClN/c1-2-15-12-16-11-14(8-9-17(16)20-18(15)19)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3
InChIKeySZTDXULUWSTDDC-UHFFFAOYSA-N
XLogP5.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.79
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-chloro-3-ethylquinoline?
The IUPAC name of 6-benzyl-2-chloro-3-ethylquinoline (CID 59459863) is 6-benzyl-2-chloro-3-ethylquinoline.
What is the SMILES notation for 6-benzyl-2-chloro-3-ethylquinoline?
The canonical SMILES for 6-benzyl-2-chloro-3-ethylquinoline is CCc1cc2cc(Cc3ccccc3)ccc2nc1Cl.
What is the InChIKey of 6-benzyl-2-chloro-3-ethylquinoline?
The InChIKey is SZTDXULUWSTDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c1-2-15-12-16-11-14(8-9-17(16)20-18(15)19)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3.
What are the key properties of 6-benzyl-2-chloro-3-ethylquinoline?
6-benzyl-2-chloro-3-ethylquinoline has a molecular weight of 281.79 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-chloro-3-ethylquinoline is sourced from PubChem (CID 59459863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).