4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine

C15H17ClN2O — CID 53483322

IUPAC4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine
SMILESCc1ccc2nc(Cl)c(CN3CCOCC3)cc2c1
InChIInChI=1S/C15H17ClN2O/c1-11-2-3-14-12(8-11)9-13(15(16)17-14)10-18-4-6-19-7-5-18/h2-3,8-9H,4-7,10H2,1H3
InChIKeyOOYZRXHAQZOLDL-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.03
Rot. Bonds2

About 4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine

4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine (PubChem CID 53483322) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine
PubChem CID53483322
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine
SMILESCc1ccc2nc(Cl)c(CN3CCOCC3)cc2c1
InChIInChI=1S/C15H17ClN2O/c1-11-2-3-14-12(8-11)9-13(15(16)17-14)10-18-4-6-19-7-5-18/h2-3,8-9H,4-7,10H2,1H3
InChIKeyOOYZRXHAQZOLDL-UHFFFAOYSA-N
XLogP3.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.03
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 4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine?
The IUPAC name of 4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine (CID 53483322) is 4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine is Cc1ccc2nc(Cl)c(CN3CCOCC3)cc2c1.
What is the InChIKey of 4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine?
The InChIKey is OOYZRXHAQZOLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11-2-3-14-12(8-11)9-13(15(16)17-14)10-18-4-6-19-7-5-18/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine?
4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine has a molecular weight of 276.77 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-methylquinolin-3-yl)methyl]morpholine is sourced from PubChem (CID 53483322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).