2,8-dichloro-3-propylquinoline

C12H11Cl2N — CID 63531217

IUPAC2,8-dichloro-3-propylquinoline
SMILESCCCc1cc2cccc(Cl)c2nc1Cl
InChIInChI=1S/C12H11Cl2N/c1-2-4-9-7-8-5-3-6-10(13)11(8)15-12(9)14/h3,5-7H,2,4H2,1H3
InChIKeyCZPWYDQRHVBRJQ-UHFFFAOYSA-N
MW240.13 g/mol
LogP4.49
Rot. Bonds2

About 2,8-dichloro-3-propylquinoline

2,8-dichloro-3-propylquinoline (PubChem CID 63531217) has the molecular formula C12H11Cl2N and a molecular weight of 240.13 g/mol. Its IUPAC name is 2,8-dichloro-3-propylquinoline.

Molecular Properties

Compound Name2,8-dichloro-3-propylquinoline
PubChem CID63531217
Molecular FormulaC12H11Cl2N
Molecular Weight240.13 g/mol
Exact Mass239.03
IUPAC Name2,8-dichloro-3-propylquinoline
SMILESCCCc1cc2cccc(Cl)c2nc1Cl
InChIInChI=1S/C12H11Cl2N/c1-2-4-9-7-8-5-3-6-10(13)11(8)15-12(9)14/h3,5-7H,2,4H2,1H3
InChIKeyCZPWYDQRHVBRJQ-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 54.49
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 2,8-dichloro-3-propylquinoline?
The IUPAC name of 2,8-dichloro-3-propylquinoline (CID 63531217) is 2,8-dichloro-3-propylquinoline.
What is the SMILES notation for 2,8-dichloro-3-propylquinoline?
The canonical SMILES for 2,8-dichloro-3-propylquinoline is CCCc1cc2cccc(Cl)c2nc1Cl.
What is the InChIKey of 2,8-dichloro-3-propylquinoline?
The InChIKey is CZPWYDQRHVBRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N/c1-2-4-9-7-8-5-3-6-10(13)11(8)15-12(9)14/h3,5-7H,2,4H2,1H3.
What are the key properties of 2,8-dichloro-3-propylquinoline?
2,8-dichloro-3-propylquinoline has a molecular weight of 240.13 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-3-propylquinoline is sourced from PubChem (CID 63531217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).