(5-chloroquinolin-8-yl) morpholine-4-sulfonate

C13H13ClN2O4S — CID 11841630

IUPAC(5-chloroquinolin-8-yl) morpholine-4-sulfonate
SMILESO=S(=O)(Oc1ccc(Cl)c2cccnc12)N1CCOCC1
InChIInChI=1S/C13H13ClN2O4S/c14-11-3-4-12(13-10(11)2-1-5-15-13)20-21(17,18)16-6-8-19-9-7-16/h1-5H,6-9H2
InChIKeyPDHQFXCODPYFMN-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.84
Rot. Bonds3

About (5-chloroquinolin-8-yl) morpholine-4-sulfonate

(5-chloroquinolin-8-yl) morpholine-4-sulfonate (PubChem CID 11841630) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is (5-chloroquinolin-8-yl) morpholine-4-sulfonate.

Molecular Properties

Compound Name(5-chloroquinolin-8-yl) morpholine-4-sulfonate
PubChem CID11841630
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name(5-chloroquinolin-8-yl) morpholine-4-sulfonate
SMILESO=S(=O)(Oc1ccc(Cl)c2cccnc12)N1CCOCC1
InChIInChI=1S/C13H13ClN2O4S/c14-11-3-4-12(13-10(11)2-1-5-15-13)20-21(17,18)16-6-8-19-9-7-16/h1-5H,6-9H2
InChIKeyPDHQFXCODPYFMN-UHFFFAOYSA-N
XLogP1.84
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-chloroquinolin-8-yl) morpholine-4-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloroquinolin-8-yl) methanesulfonate
CID 86302357
(5-chloroquinolin-8-yl) 3,4-dichlorobenzenesulfonate
CID 91669666
CID 12945983
CID 12945983
(5-chloroquinolin-8-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 8716504
3-(5-chloroquinolin-8-yl)oxyoxolan-2-one
CID 71408844
(5-chloroquinolin-8-yl) 5-bromo-2,4-dimethylbenzenesulfonate
CID 91669670
2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone
CID 116783960
(4-chlorophenyl) morpholine-4-sulfonate
CID 3680578
5-chloroquinoline-8-sulfonyl chloride
CID 4206949
potassium;5-chloroquinolin-8-ol;hydride
CID 174478922
calcium;5-chloroquinolin-8-ol;hydride
CID 174353815
1-(8-methoxyquinolin-5-yl)-2-morpholin-4-ylethanone
CID 93193171

Frequently Asked Questions

What is the IUPAC name of (5-chloroquinolin-8-yl) morpholine-4-sulfonate?
The IUPAC name of (5-chloroquinolin-8-yl) morpholine-4-sulfonate (CID 11841630) is (5-chloroquinolin-8-yl) morpholine-4-sulfonate.
What is the SMILES notation for (5-chloroquinolin-8-yl) morpholine-4-sulfonate?
The canonical SMILES for (5-chloroquinolin-8-yl) morpholine-4-sulfonate is O=S(=O)(Oc1ccc(Cl)c2cccnc12)N1CCOCC1.
What is the InChIKey of (5-chloroquinolin-8-yl) morpholine-4-sulfonate?
The InChIKey is PDHQFXCODPYFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c14-11-3-4-12(13-10(11)2-1-5-15-13)20-21(17,18)16-6-8-19-9-7-16/h1-5H,6-9H2.
What are the key properties of (5-chloroquinolin-8-yl) morpholine-4-sulfonate?
(5-chloroquinolin-8-yl) morpholine-4-sulfonate has a molecular weight of 328.78 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloroquinolin-8-yl) morpholine-4-sulfonate is sourced from PubChem (CID 11841630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).