4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine

C15H17ClN2O — CID 78871227

IUPAC4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2ccnc3cc(Cl)ccc23)CCO1
InChIInChI=1S/C15H17ClN2O/c1-15(2)10-18(7-8-19-15)14-5-6-17-13-9-11(16)3-4-12(13)14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyXIMQTYBGBNHBQZ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.50
Rot. Bonds1

About 4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine

4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine (PubChem CID 78871227) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine
PubChem CID78871227
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2ccnc3cc(Cl)ccc23)CCO1
InChIInChI=1S/C15H17ClN2O/c1-15(2)10-18(7-8-19-15)14-5-6-17-13-9-11(16)3-4-12(13)14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyXIMQTYBGBNHBQZ-UHFFFAOYSA-N
XLogP3.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine?
The IUPAC name of 4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine (CID 78871227) is 4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine is CC1(C)CN(c2ccnc3cc(Cl)ccc23)CCO1.
What is the InChIKey of 4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine?
The InChIKey is XIMQTYBGBNHBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-15(2)10-18(7-8-19-15)14-5-6-17-13-9-11(16)3-4-12(13)14/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine?
4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine has a molecular weight of 276.77 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine is sourced from PubChem (CID 78871227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).