4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine

C19H17ClN2O4S — CID 9311294

IUPAC4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Oc2ccnc3cc(Cl)ccc23)cc1)N1CCOCC1
InChIInChI=1S/C19H17ClN2O4S/c20-14-1-6-17-18(13-14)21-8-7-19(17)26-15-2-4-16(5-3-15)27(23,24)22-9-11-25-12-10-22/h1-8,13H,9-12H2
InChIKeyPJJXYBRXTNBURC-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.70
Rot. Bonds4

About 4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine

4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine (PubChem CID 9311294) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is 4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine
PubChem CID9311294
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC Name4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Oc2ccnc3cc(Cl)ccc23)cc1)N1CCOCC1
InChIInChI=1S/C19H17ClN2O4S/c20-14-1-6-17-18(13-14)21-8-7-19(17)26-15-2-4-16(5-3-15)27(23,24)22-9-11-25-12-10-22/h1-8,13H,9-12H2
InChIKeyPJJXYBRXTNBURC-UHFFFAOYSA-N
XLogP3.70
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-chlorophenoxy)phenyl]sulfonylmorpholine
CID 2940068
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
7-chloro-4-phenoxyquinoline;hydrochloride
CID 86033185
7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 2957990
[2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine
CID 67046009
4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
CID 1257549
4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 117058420
N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine
CID 142989221
7-chloro-4-(3-fluorophenoxy)quinoline
CID 19879037
7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113812
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine
CID 71661881

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine (CID 9311294) is 4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine is O=S(=O)(c1ccc(Oc2ccnc3cc(Cl)ccc23)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine?
The InChIKey is PJJXYBRXTNBURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c20-14-1-6-17-18(13-14)21-8-7-19(17)26-15-2-4-16(5-3-15)27(23,24)22-9-11-25-12-10-22/h1-8,13H,9-12H2.
What are the key properties of 4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine?
4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine has a molecular weight of 404.88 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine is sourced from PubChem (CID 9311294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).