4-(7-chloroquinolin-4-yl)-2,6-dimethylmorpholine

C15H17ClN2O — CID 4788966

IUPAC4-(7-chloroquinolin-4-yl)-2,6-dimethylmorpholine
SMILESCC1CN(c2ccnc3cc(Cl)ccc23)CC(C)O1
InChIInChI=1S/C15H17ClN2O/c1-10-8-18(9-11(2)19-10)15-5-6-17-14-7-12(16)3-4-13(14)15/h3-7,10-11H,8-9H2,1-2H3
InChIKeyKRWMDOOKRDVCKN-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.50
Rot. Bonds1

About 4-(7-chloroquinolin-4-yl)-2,6-dimethylmorpholine

4-(7-chloroquinolin-4-yl)-2,6-dimethylmorpholine (PubChem CID 4788966) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(7-chloroquinolin-4-yl)-2,6-dimethylmorpholine
PubChem CID4788966
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-(7-chloroquinolin-4-yl)-2,6-dimethylmorpholine
SMILESCC1CN(c2ccnc3cc(Cl)ccc23)CC(C)O1
InChIInChI=1S/C15H17ClN2O/c1-10-8-18(9-11(2)19-10)15-5-6-17-14-7-12(16)3-4-13(14)15/h3-7,10-11H,8-9H2,1-2H3
InChIKeyKRWMDOOKRDVCKN-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)-2,6-dimethylmorpholine?
The IUPAC name of 4-(7-chloroquinolin-4-yl)-2,6-dimethylmorpholine (CID 4788966) is 4-(7-chloroquinolin-4-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(7-chloroquinolin-4-yl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(7-chloroquinolin-4-yl)-2,6-dimethylmorpholine is CC1CN(c2ccnc3cc(Cl)ccc23)CC(C)O1.
What is the InChIKey of 4-(7-chloroquinolin-4-yl)-2,6-dimethylmorpholine?
The InChIKey is KRWMDOOKRDVCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-8-18(9-11(2)19-10)15-5-6-17-14-7-12(16)3-4-13(14)15/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 4-(7-chloroquinolin-4-yl)-2,6-dimethylmorpholine?
4-(7-chloroquinolin-4-yl)-2,6-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)-2,6-dimethylmorpholine is sourced from PubChem (CID 4788966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).