8-chloro-3-ethyl-2-pyridin-2-ylquinoline

C16H13ClN2 — CID 70898648

IUPAC8-chloro-3-ethyl-2-pyridin-2-ylquinoline
SMILESCCc1cc2cccc(Cl)c2nc1-c1ccccn1
InChIInChI=1S/C16H13ClN2/c1-2-11-10-12-6-5-7-13(17)15(12)19-16(11)14-8-3-4-9-18-14/h3-10H,2H2,1H3
InChIKeyQXCATOXXEOFHIX-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.51
Rot. Bonds2

About 8-chloro-3-ethyl-2-pyridin-2-ylquinoline

8-chloro-3-ethyl-2-pyridin-2-ylquinoline (PubChem CID 70898648) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 8-chloro-3-ethyl-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name8-chloro-3-ethyl-2-pyridin-2-ylquinoline
PubChem CID70898648
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name8-chloro-3-ethyl-2-pyridin-2-ylquinoline
SMILESCCc1cc2cccc(Cl)c2nc1-c1ccccn1
InChIInChI=1S/C16H13ClN2/c1-2-11-10-12-6-5-7-13(17)15(12)19-16(11)14-8-3-4-9-18-14/h3-10H,2H2,1H3
InChIKeyQXCATOXXEOFHIX-UHFFFAOYSA-N
XLogP4.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-ethyl-2-pyridin-2-ylquinoline?
The IUPAC name of 8-chloro-3-ethyl-2-pyridin-2-ylquinoline (CID 70898648) is 8-chloro-3-ethyl-2-pyridin-2-ylquinoline.
What is the SMILES notation for 8-chloro-3-ethyl-2-pyridin-2-ylquinoline?
The canonical SMILES for 8-chloro-3-ethyl-2-pyridin-2-ylquinoline is CCc1cc2cccc(Cl)c2nc1-c1ccccn1.
What is the InChIKey of 8-chloro-3-ethyl-2-pyridin-2-ylquinoline?
The InChIKey is QXCATOXXEOFHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c1-2-11-10-12-6-5-7-13(17)15(12)19-16(11)14-8-3-4-9-18-14/h3-10H,2H2,1H3.
What are the key properties of 8-chloro-3-ethyl-2-pyridin-2-ylquinoline?
8-chloro-3-ethyl-2-pyridin-2-ylquinoline has a molecular weight of 268.75 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-ethyl-2-pyridin-2-ylquinoline is sourced from PubChem (CID 70898648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).