[(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate

C23H22F3N3O3 — CID 66633784

IUPAC[(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1nc2ncccc2cc1C(=O)O[C@@H](C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C23H22F3N3O3/c1-14-18(12-17-4-3-7-27-21(17)28-14)22(30)32-15(2)16-5-6-20(19(13-16)23(24,25)26)29-8-10-31-11-9-29/h3-7,12-13,15H,8-11H2,1-2H3/t15-/m0/s1
InChIKeyAZWUSVUJPACVGN-HNNXBMFYSA-N
MW445.44 g/mol
LogP4.71
Rot. Bonds4

About [(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate

[(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 66633784) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is [(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name[(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID66633784
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name[(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1nc2ncccc2cc1C(=O)O[C@@H](C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C23H22F3N3O3/c1-14-18(12-17-4-3-7-27-21(17)28-14)22(30)32-15(2)16-5-6-20(19(13-16)23(24,25)26)29-8-10-31-11-9-29/h3-7,12-13,15H,8-11H2,1-2H3/t15-/m0/s1
InChIKeyAZWUSVUJPACVGN-HNNXBMFYSA-N
XLogP4.71
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of [(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate (CID 66633784) is [(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for [(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for [(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate is Cc1nc2ncccc2cc1C(=O)O[C@@H](C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of [(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is AZWUSVUJPACVGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-14-18(12-17-4-3-7-27-21(17)28-14)22(30)32-15(2)16-5-6-20(19(13-16)23(24,25)26)29-8-10-31-11-9-29/h3-7,12-13,15H,8-11H2,1-2H3/t15-/m0/s1.
What are the key properties of [(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate?
[(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 445.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl] 2-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 66633784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).