6-chloro-2-ethyl-4-phenylquinoline

C17H14ClN — CID 622532

IUPAC6-chloro-2-ethyl-4-phenylquinoline
SMILESCCc1cc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H14ClN/c1-2-14-11-15(12-6-4-3-5-7-12)16-10-13(18)8-9-17(16)19-14/h3-11H,2H2,1H3
InChIKeySOTKPSUPGNYFFY-UHFFFAOYSA-N
MW267.76 g/mol
LogP5.12
Rot. Bonds2

About 6-chloro-2-ethyl-4-phenylquinoline

6-chloro-2-ethyl-4-phenylquinoline (PubChem CID 622532) has the molecular formula C17H14ClN and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-chloro-2-ethyl-4-phenylquinoline.

Molecular Properties

Compound Name6-chloro-2-ethyl-4-phenylquinoline
PubChem CID622532
Molecular FormulaC17H14ClN
Molecular Weight267.76 g/mol
Exact Mass267.08
IUPAC Name6-chloro-2-ethyl-4-phenylquinoline
SMILESCCc1cc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H14ClN/c1-2-14-11-15(12-6-4-3-5-7-12)16-10-13(18)8-9-17(16)19-14/h3-11H,2H2,1H3
InChIKeySOTKPSUPGNYFFY-UHFFFAOYSA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.76
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-4-phenylquinoline?
The IUPAC name of 6-chloro-2-ethyl-4-phenylquinoline (CID 622532) is 6-chloro-2-ethyl-4-phenylquinoline.
What is the SMILES notation for 6-chloro-2-ethyl-4-phenylquinoline?
The canonical SMILES for 6-chloro-2-ethyl-4-phenylquinoline is CCc1cc(-c2ccccc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-ethyl-4-phenylquinoline?
The InChIKey is SOTKPSUPGNYFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN/c1-2-14-11-15(12-6-4-3-5-7-12)16-10-13(18)8-9-17(16)19-14/h3-11H,2H2,1H3.
What are the key properties of 6-chloro-2-ethyl-4-phenylquinoline?
6-chloro-2-ethyl-4-phenylquinoline has a molecular weight of 267.76 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-4-phenylquinoline is sourced from PubChem (CID 622532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).