2-chloro-3,8-diethyl-6-methylquinoline

C14H16ClN — CID 21061091

IUPAC2-chloro-3,8-diethyl-6-methylquinoline
SMILESCCc1cc2cc(C)cc(CC)c2nc1Cl
InChIInChI=1S/C14H16ClN/c1-4-10-6-9(3)7-12-8-11(5-2)14(15)16-13(10)12/h6-8H,4-5H2,1-3H3
InChIKeyTVESEHHQNCOZDL-UHFFFAOYSA-N
MW233.74 g/mol
LogP4.32
Rot. Bonds2

About 2-chloro-3,8-diethyl-6-methylquinoline

2-chloro-3,8-diethyl-6-methylquinoline (PubChem CID 21061091) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-chloro-3,8-diethyl-6-methylquinoline.

Molecular Properties

Compound Name2-chloro-3,8-diethyl-6-methylquinoline
PubChem CID21061091
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name2-chloro-3,8-diethyl-6-methylquinoline
SMILESCCc1cc2cc(C)cc(CC)c2nc1Cl
InChIInChI=1S/C14H16ClN/c1-4-10-6-9(3)7-12-8-11(5-2)14(15)16-13(10)12/h6-8H,4-5H2,1-3H3
InChIKeyTVESEHHQNCOZDL-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 54.32
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 2-chloro-3,8-diethyl-6-methylquinoline?
The IUPAC name of 2-chloro-3,8-diethyl-6-methylquinoline (CID 21061091) is 2-chloro-3,8-diethyl-6-methylquinoline.
What is the SMILES notation for 2-chloro-3,8-diethyl-6-methylquinoline?
The canonical SMILES for 2-chloro-3,8-diethyl-6-methylquinoline is CCc1cc2cc(C)cc(CC)c2nc1Cl.
What is the InChIKey of 2-chloro-3,8-diethyl-6-methylquinoline?
The InChIKey is TVESEHHQNCOZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c1-4-10-6-9(3)7-12-8-11(5-2)14(15)16-13(10)12/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-chloro-3,8-diethyl-6-methylquinoline?
2-chloro-3,8-diethyl-6-methylquinoline has a molecular weight of 233.74 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,8-diethyl-6-methylquinoline is sourced from PubChem (CID 21061091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).