2,3-dichloro-7-(2,2-dimethylpropyl)quinoline

C14H15Cl2N — CID 155185194

IUPAC2,3-dichloro-7-(2,2-dimethylpropyl)quinoline
SMILESCC(C)(C)Cc1ccc2cc(Cl)c(Cl)nc2c1
InChIInChI=1S/C14H15Cl2N/c1-14(2,3)8-9-4-5-10-7-11(15)13(16)17-12(10)6-9/h4-7H,8H2,1-3H3
InChIKeyWWINHMGUUFVERQ-UHFFFAOYSA-N
MW268.19 g/mol
LogP5.13
Rot. Bonds1

About 2,3-dichloro-7-(2,2-dimethylpropyl)quinoline

2,3-dichloro-7-(2,2-dimethylpropyl)quinoline (PubChem CID 155185194) has the molecular formula C14H15Cl2N and a molecular weight of 268.19 g/mol. Its IUPAC name is 2,3-dichloro-7-(2,2-dimethylpropyl)quinoline.

Molecular Properties

Compound Name2,3-dichloro-7-(2,2-dimethylpropyl)quinoline
PubChem CID155185194
Molecular FormulaC14H15Cl2N
Molecular Weight268.19 g/mol
Exact Mass267.06
IUPAC Name2,3-dichloro-7-(2,2-dimethylpropyl)quinoline
SMILESCC(C)(C)Cc1ccc2cc(Cl)c(Cl)nc2c1
InChIInChI=1S/C14H15Cl2N/c1-14(2,3)8-9-4-5-10-7-11(15)13(16)17-12(10)6-9/h4-7H,8H2,1-3H3
InChIKeyWWINHMGUUFVERQ-UHFFFAOYSA-N
XLogP5.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.19
LogP ≤ 55.13
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 2,3-dichloro-7-(2,2-dimethylpropyl)quinoline?
The IUPAC name of 2,3-dichloro-7-(2,2-dimethylpropyl)quinoline (CID 155185194) is 2,3-dichloro-7-(2,2-dimethylpropyl)quinoline.
What is the SMILES notation for 2,3-dichloro-7-(2,2-dimethylpropyl)quinoline?
The canonical SMILES for 2,3-dichloro-7-(2,2-dimethylpropyl)quinoline is CC(C)(C)Cc1ccc2cc(Cl)c(Cl)nc2c1.
What is the InChIKey of 2,3-dichloro-7-(2,2-dimethylpropyl)quinoline?
The InChIKey is WWINHMGUUFVERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N/c1-14(2,3)8-9-4-5-10-7-11(15)13(16)17-12(10)6-9/h4-7H,8H2,1-3H3.
What are the key properties of 2,3-dichloro-7-(2,2-dimethylpropyl)quinoline?
2,3-dichloro-7-(2,2-dimethylpropyl)quinoline has a molecular weight of 268.19 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-7-(2,2-dimethylpropyl)quinoline is sourced from PubChem (CID 155185194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).