2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline

C17H20ClNO2 — CID 60922487

IUPAC2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline
SMILESCOc1ccc2cc(COC3CCCCC3)c(Cl)nc2c1
InChIInChI=1S/C17H20ClNO2/c1-20-15-8-7-12-9-13(17(18)19-16(12)10-15)11-21-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3
InChIKeyCLIZDNCKXBSXJP-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.75
Rot. Bonds4

About 2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline

2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline (PubChem CID 60922487) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline.

Molecular Properties

Compound Name2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline
PubChem CID60922487
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline
SMILESCOc1ccc2cc(COC3CCCCC3)c(Cl)nc2c1
InChIInChI=1S/C17H20ClNO2/c1-20-15-8-7-12-9-13(17(18)19-16(12)10-15)11-21-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3
InChIKeyCLIZDNCKXBSXJP-UHFFFAOYSA-N
XLogP4.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-3-(cyclohexyloxymethyl)-7-methoxyquinoline?
The IUPAC name of 2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline (CID 60922487) is 2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline.
What is the SMILES notation for 2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline?
The canonical SMILES for 2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline is COc1ccc2cc(COC3CCCCC3)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline?
The InChIKey is CLIZDNCKXBSXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-20-15-8-7-12-9-13(17(18)19-16(12)10-15)11-21-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3.
What are the key properties of 2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline?
2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline has a molecular weight of 305.81 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline is sourced from PubChem (CID 60922487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).