(2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine

C15H18ClN2O+ — CID 8000509

IUPAC(2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc23)C[C@H](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/p+1/t10-,11+
InChIKeyKRWMDOOKRDVCKN-PHIMTYICSA-O
MW277.78 g/mol
LogP2.92
Rot. Bonds1

About (2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine

(2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine (PubChem CID 8000509) has the molecular formula C15H18ClN2O+ and a molecular weight of 277.78 g/mol. Its IUPAC name is (2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine
PubChem CID8000509
Molecular FormulaC15H18ClN2O+
Molecular Weight277.78 g/mol
Exact Mass277.11
IUPAC Name(2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc23)C[C@H](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/p+1/t10-,11+
InChIKeyKRWMDOOKRDVCKN-PHIMTYICSA-O
XLogP2.92
TPSA26.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine (CID 8000509) is (2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine is C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc23)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine?
The InChIKey is KRWMDOOKRDVCKN-PHIMTYICSA-O. 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/p+1/t10-,11+.
What are the key properties of (2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine?
(2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine has a molecular weight of 277.78 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 8000509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).