2-chloro-4-methyl-8-propan-2-ylquinoline

C13H14ClN — CID 2118094

IUPAC2-chloro-4-methyl-8-propan-2-ylquinoline
SMILESCc1cc(Cl)nc2c(C(C)C)cccc12
InChIInChI=1S/C13H14ClN/c1-8(2)10-5-4-6-11-9(3)7-12(14)15-13(10)11/h4-8H,1-3H3
InChIKeyIQCLKXIOPHJAIT-UHFFFAOYSA-N
MW219.72 g/mol
LogP4.32
Rot. Bonds1

About 2-chloro-4-methyl-8-propan-2-ylquinoline

2-chloro-4-methyl-8-propan-2-ylquinoline (PubChem CID 2118094) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is 2-chloro-4-methyl-8-propan-2-ylquinoline.

Molecular Properties

Compound Name2-chloro-4-methyl-8-propan-2-ylquinoline
PubChem CID2118094
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name2-chloro-4-methyl-8-propan-2-ylquinoline
SMILESCc1cc(Cl)nc2c(C(C)C)cccc12
InChIInChI=1S/C13H14ClN/c1-8(2)10-5-4-6-11-9(3)7-12(14)15-13(10)11/h4-8H,1-3H3
InChIKeyIQCLKXIOPHJAIT-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
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-4-methyl-8-propan-2-ylquinoline?
The IUPAC name of 2-chloro-4-methyl-8-propan-2-ylquinoline (CID 2118094) is 2-chloro-4-methyl-8-propan-2-ylquinoline.
What is the SMILES notation for 2-chloro-4-methyl-8-propan-2-ylquinoline?
The canonical SMILES for 2-chloro-4-methyl-8-propan-2-ylquinoline is Cc1cc(Cl)nc2c(C(C)C)cccc12.
What is the InChIKey of 2-chloro-4-methyl-8-propan-2-ylquinoline?
The InChIKey is IQCLKXIOPHJAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-8(2)10-5-4-6-11-9(3)7-12(14)15-13(10)11/h4-8H,1-3H3.
What are the key properties of 2-chloro-4-methyl-8-propan-2-ylquinoline?
2-chloro-4-methyl-8-propan-2-ylquinoline has a molecular weight of 219.72 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-8-propan-2-ylquinoline is sourced from PubChem (CID 2118094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).