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

C14H13ClN2O3 — CID 712592

IUPAC(5-chloroquinolin-8-yl) morpholine-4-carboxylate
SMILESO=C(Oc1ccc(Cl)c2cccnc12)N1CCOCC1
InChIInChI=1S/C14H13ClN2O3/c15-11-3-4-12(13-10(11)2-1-5-16-13)20-14(18)17-6-8-19-9-7-17/h1-5H,6-9H2
InChIKeyRTUFHBLRPQSAOA-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.72
Rot. Bonds1

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

(5-chloroquinolin-8-yl) morpholine-4-carboxylate (PubChem CID 712592) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is (5-chloroquinolin-8-yl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(5-chloroquinolin-8-yl) morpholine-4-carboxylate
PubChem CID712592
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name(5-chloroquinolin-8-yl) morpholine-4-carboxylate
SMILESO=C(Oc1ccc(Cl)c2cccnc12)N1CCOCC1
InChIInChI=1S/C14H13ClN2O3/c15-11-3-4-12(13-10(11)2-1-5-16-13)20-14(18)17-6-8-19-9-7-17/h1-5H,6-9H2
InChIKeyRTUFHBLRPQSAOA-UHFFFAOYSA-N
XLogP2.72
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloroquinolin-8-yl) morpholine-4-carboxylate?
The IUPAC name of (5-chloroquinolin-8-yl) morpholine-4-carboxylate (CID 712592) is (5-chloroquinolin-8-yl) morpholine-4-carboxylate.
What is the SMILES notation for (5-chloroquinolin-8-yl) morpholine-4-carboxylate?
The canonical SMILES for (5-chloroquinolin-8-yl) morpholine-4-carboxylate is O=C(Oc1ccc(Cl)c2cccnc12)N1CCOCC1.
What is the InChIKey of (5-chloroquinolin-8-yl) morpholine-4-carboxylate?
The InChIKey is RTUFHBLRPQSAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-11-3-4-12(13-10(11)2-1-5-16-13)20-14(18)17-6-8-19-9-7-17/h1-5H,6-9H2.
What are the key properties of (5-chloroquinolin-8-yl) morpholine-4-carboxylate?
(5-chloroquinolin-8-yl) morpholine-4-carboxylate has a molecular weight of 292.72 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloroquinolin-8-yl) morpholine-4-carboxylate is sourced from PubChem (CID 712592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).