(5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate

C14H12Cl2N2O3 — CID 713151

IUPAC(5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate
SMILESO=C(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCOCC1
InChIInChI=1S/C14H12Cl2N2O3/c15-10-8-11(16)13(12-9(10)2-1-3-17-12)21-14(19)18-4-6-20-7-5-18/h1-3,8H,4-7H2
InChIKeyFCNJPEPZCBUOEZ-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.37
Rot. Bonds1

About (5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate

(5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate (PubChem CID 713151) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is (5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate
PubChem CID713151
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name(5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate
SMILESO=C(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCOCC1
InChIInChI=1S/C14H12Cl2N2O3/c15-10-8-11(16)13(12-9(10)2-1-3-17-12)21-14(19)18-4-6-20-7-5-18/h1-3,8H,4-7H2
InChIKeyFCNJPEPZCBUOEZ-UHFFFAOYSA-N
XLogP3.37
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Chloroacetoxyquinoline
CID 2718
5-Chloro-8-phenoxyquinoline
CID 2767025
5-Chloro-8-[(3-Chlorobenzyl)oxy]quinoline
CID 56643075
5-Chloro-8-quinolinyl 3-(trifluoromethyl)phenylcarbamate
CID 342201
5-chloroquinolin-8-yl N,N-diethylcarbamate
CID 712597
Mls003115987
CID 330737
5-Chloro-8-quinolyl N-phenylcarbamate
CID 853660
5,7-Dichloro-8-quinolyl N-phenylcarbamate
CID 4605311
Quinolin-8-yl piperidine-1-carboxylate
CID 713309
8-[3-(2-Chlorophenoxy)propoxy]quinoline
CID 2283001
Methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 2471404
4-Methyl-piperidine-1-carboxylic acid 5,7-dichloro-quinolin-8-yl ester
CID 713068

Frequently Asked Questions

What is the IUPAC name of (5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate?
The IUPAC name of (5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate (CID 713151) is (5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate.
What is the SMILES notation for (5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate?
The canonical SMILES for (5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate is O=C(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCOCC1.
What is the InChIKey of (5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate?
The InChIKey is FCNJPEPZCBUOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c15-10-8-11(16)13(12-9(10)2-1-3-17-12)21-14(19)18-4-6-20-7-5-18/h1-3,8H,4-7H2.
What are the key properties of (5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate?
(5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate has a molecular weight of 327.17 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloroquinolin-8-yl) morpholine-4-carboxylate is sourced from PubChem (CID 713151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).