ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate

C16H16F3N3O3 — CID 2809346

IUPACethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(N3CCOCC3)nccc2nc1C(F)(F)F
InChIInChI=1S/C16H16F3N3O3/c1-2-25-15(23)11-9-10-12(21-13(11)16(17,18)19)3-4-20-14(10)22-5-7-24-8-6-22/h3-4,9H,2,5-8H2,1H3
InChIKeyJHVBMMATFVRCIG-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.66
Rot. Bonds3

About ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate

ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate (PubChem CID 2809346) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate
PubChem CID2809346
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Nameethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(N3CCOCC3)nccc2nc1C(F)(F)F
InChIInChI=1S/C16H16F3N3O3/c1-2-25-15(23)11-9-10-12(21-13(11)16(17,18)19)3-4-20-14(10)22-5-7-24-8-6-22/h3-4,9H,2,5-8H2,1H3
InChIKeyJHVBMMATFVRCIG-UHFFFAOYSA-N
XLogP2.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carboxylic acid phenyl ester
CID 11358905
US10072026, Example 6-45
CID 136214736
Ethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate
CID 1266136
5-Cyano-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
CID 1489435
Ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 15998972
Ethyl 4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylate
CID 18590609
2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinoline-3-carboxylic acid butyl ester
CID 44287002
2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinoline-3-carboxylic acid ethyl ester
CID 44287003
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-8-fluoroquinoline-3-carboxylate
CID 134146336
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-6-fluoroquinoline-3-carboxylate
CID 134154720
Ethyl 4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline-3-carboxylate
CID 134157892
Ethyl 6-(2-amino-4-pyridinyl)-4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-1,5-naphthyridine-3-carboxylate
CID 156013079

Frequently Asked Questions

What is the IUPAC name of ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate (CID 2809346) is ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(N3CCOCC3)nccc2nc1C(F)(F)F.
What is the InChIKey of ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate?
The InChIKey is JHVBMMATFVRCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-2-25-15(23)11-9-10-12(21-13(11)16(17,18)19)3-4-20-14(10)22-5-7-24-8-6-22/h3-4,9H,2,5-8H2,1H3.
What are the key properties of ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate?
ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate has a molecular weight of 355.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 2809346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).