ethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate

C18H22ClN3O3 — CID 1181325

IUPACethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cccc2c1NCCN1CCOCC1
InChIInChI=1S/C18H22ClN3O3/c1-2-25-18(23)14-12-21-17-13(4-3-5-15(17)19)16(14)20-6-7-22-8-10-24-11-9-22/h3-5,12H,2,6-11H2,1H3,(H,20,21)
InChIKeyHIOBZLAZCVYGTN-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.81
Rot. Bonds6

About ethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate

ethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate (PubChem CID 1181325) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is ethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
PubChem CID1181325
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Nameethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cccc2c1NCCN1CCOCC1
InChIInChI=1S/C18H22ClN3O3/c1-2-25-18(23)14-12-21-17-13(4-3-5-15(17)19)16(14)20-6-7-22-8-10-24-11-9-22/h3-5,12H,2,6-11H2,1H3,(H,20,21)
InChIKeyHIOBZLAZCVYGTN-UHFFFAOYSA-N
XLogP2.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate (CID 1181325) is ethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(Cl)cccc2c1NCCN1CCOCC1.
What is the InChIKey of ethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The InChIKey is HIOBZLAZCVYGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-2-25-18(23)14-12-21-17-13(4-3-5-15(17)19)16(14)20-6-7-22-8-10-24-11-9-22/h3-5,12H,2,6-11H2,1H3,(H,20,21).
What are the key properties of ethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
ethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate has a molecular weight of 363.85 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 1181325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).