2-chloro-8-ethyl-3-propan-2-ylquinoline

C14H16ClN — CID 63531228

IUPAC2-chloro-8-ethyl-3-propan-2-ylquinoline
SMILESCCc1cccc2cc(C(C)C)c(Cl)nc12
InChIInChI=1S/C14H16ClN/c1-4-10-6-5-7-11-8-12(9(2)3)14(15)16-13(10)11/h5-9H,4H2,1-3H3
InChIKeyZTVHFZILFIIIPS-UHFFFAOYSA-N
MW233.74 g/mol
LogP4.57
Rot. Bonds2

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

2-chloro-8-ethyl-3-propan-2-ylquinoline (PubChem CID 63531228) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-chloro-8-ethyl-3-propan-2-ylquinoline.

Molecular Properties

Compound Name2-chloro-8-ethyl-3-propan-2-ylquinoline
PubChem CID63531228
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name2-chloro-8-ethyl-3-propan-2-ylquinoline
SMILESCCc1cccc2cc(C(C)C)c(Cl)nc12
InChIInChI=1S/C14H16ClN/c1-4-10-6-5-7-11-8-12(9(2)3)14(15)16-13(10)11/h5-9H,4H2,1-3H3
InChIKeyZTVHFZILFIIIPS-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
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-8-ethyl-3-propan-2-ylquinoline?
The IUPAC name of 2-chloro-8-ethyl-3-propan-2-ylquinoline (CID 63531228) is 2-chloro-8-ethyl-3-propan-2-ylquinoline.
What is the SMILES notation for 2-chloro-8-ethyl-3-propan-2-ylquinoline?
The canonical SMILES for 2-chloro-8-ethyl-3-propan-2-ylquinoline is CCc1cccc2cc(C(C)C)c(Cl)nc12.
What is the InChIKey of 2-chloro-8-ethyl-3-propan-2-ylquinoline?
The InChIKey is ZTVHFZILFIIIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c1-4-10-6-5-7-11-8-12(9(2)3)14(15)16-13(10)11/h5-9H,4H2,1-3H3.
What are the key properties of 2-chloro-8-ethyl-3-propan-2-ylquinoline?
2-chloro-8-ethyl-3-propan-2-ylquinoline has a molecular weight of 233.74 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-ethyl-3-propan-2-ylquinoline is sourced from PubChem (CID 63531228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).