2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol

C26H31ClN2O3 — CID 66631502

IUPAC2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol
SMILESCCCCOC(CO)c1c(C)cc2nc(N3CCOCC3)ccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C26H31ClN2O3/c1-3-4-13-32-23(17-30)25-18(2)16-22-21(26(25)19-5-7-20(27)8-6-19)9-10-24(28-22)29-11-14-31-15-12-29/h5-10,16,23,30H,3-4,11-15,17H2,1-2H3
InChIKeyCFCHJDJXXNUADL-UHFFFAOYSA-N
MW455.00 g/mol
LogP5.55
Rot. Bonds8

About 2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol

2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol (PubChem CID 66631502) has the molecular formula C26H31ClN2O3 and a molecular weight of 455.00 g/mol. Its IUPAC name is 2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol.

Molecular Properties

Compound Name2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol
PubChem CID66631502
Molecular FormulaC26H31ClN2O3
Molecular Weight455.00 g/mol
Exact Mass454.20
IUPAC Name2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol
SMILESCCCCOC(CO)c1c(C)cc2nc(N3CCOCC3)ccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C26H31ClN2O3/c1-3-4-13-32-23(17-30)25-18(2)16-22-21(26(25)19-5-7-20(27)8-6-19)9-10-24(28-22)29-11-14-31-15-12-29/h5-10,16,23,30H,3-4,11-15,17H2,1-2H3
InChIKeyCFCHJDJXXNUADL-UHFFFAOYSA-N
XLogP5.55
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.00
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol?
The IUPAC name of 2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol (CID 66631502) is 2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol.
What is the SMILES notation for 2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol?
The canonical SMILES for 2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol is CCCCOC(CO)c1c(C)cc2nc(N3CCOCC3)ccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol?
The InChIKey is CFCHJDJXXNUADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN2O3/c1-3-4-13-32-23(17-30)25-18(2)16-22-21(26(25)19-5-7-20(27)8-6-19)9-10-24(28-22)29-11-14-31-15-12-29/h5-10,16,23,30H,3-4,11-15,17H2,1-2H3.
What are the key properties of 2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol?
2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol has a molecular weight of 455.00 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]ethanol is sourced from PubChem (CID 66631502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).