2-chloro-6-methoxy-3-propylquinoline

C13H14ClNO — CID 63231530

IUPAC2-chloro-6-methoxy-3-propylquinoline
SMILESCCCc1cc2cc(OC)ccc2nc1Cl
InChIInChI=1S/C13H14ClNO/c1-3-4-9-7-10-8-11(16-2)5-6-12(10)15-13(9)14/h5-8H,3-4H2,1-2H3
InChIKeyDPYBJCRIQNHVJR-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.85
Rot. Bonds3

About 2-chloro-6-methoxy-3-propylquinoline

2-chloro-6-methoxy-3-propylquinoline (PubChem CID 63231530) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-chloro-6-methoxy-3-propylquinoline.

Molecular Properties

Compound Name2-chloro-6-methoxy-3-propylquinoline
PubChem CID63231530
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name2-chloro-6-methoxy-3-propylquinoline
SMILESCCCc1cc2cc(OC)ccc2nc1Cl
InChIInChI=1S/C13H14ClNO/c1-3-4-9-7-10-8-11(16-2)5-6-12(10)15-13(9)14/h5-8H,3-4H2,1-2H3
InChIKeyDPYBJCRIQNHVJR-UHFFFAOYSA-N
XLogP3.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-6-methoxy-3-propylquinoline?
The IUPAC name of 2-chloro-6-methoxy-3-propylquinoline (CID 63231530) is 2-chloro-6-methoxy-3-propylquinoline.
What is the SMILES notation for 2-chloro-6-methoxy-3-propylquinoline?
The canonical SMILES for 2-chloro-6-methoxy-3-propylquinoline is CCCc1cc2cc(OC)ccc2nc1Cl.
What is the InChIKey of 2-chloro-6-methoxy-3-propylquinoline?
The InChIKey is DPYBJCRIQNHVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-3-4-9-7-10-8-11(16-2)5-6-12(10)15-13(9)14/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-chloro-6-methoxy-3-propylquinoline?
2-chloro-6-methoxy-3-propylquinoline has a molecular weight of 235.71 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-3-propylquinoline is sourced from PubChem (CID 63231530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).