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

C23H22F3N3O3 — CID 66633785

IUPAC1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl 2-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1nc2ncccc2cc1C(=O)OC(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
InChIKeyAZWUSVUJPACVGN-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.71
Rot. Bonds4

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

1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl 2-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 66633785) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl 2-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl 2-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID66633785
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl 2-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1nc2ncccc2cc1C(=O)OC(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
InChIKeyAZWUSVUJPACVGN-UHFFFAOYSA-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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Related Compounds

Ethyl 4-((2-(pyridin-3-yl)quinazolin-4-yl)amino)benzoate
CID 1186128
2-[(2-Phenylquinazolin-4-yl)amino]ethyl pyridine-3-carboxylate
CID 1643484
Ethyl 4-[[2-(4-pyridyl)quinazolin-4-yl]amino]benzoate
CID 127027208
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 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate
CID 4684117
N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide
CID 118400863
Ethyl 2-methyl-1,8-naphthyridine-3-carboxylate
CID 3253354
methyl 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoate
CID 59703412
Ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
Ethyl 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate
CID 16030628

Frequently Asked Questions

What is the IUPAC name of 1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of 1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl 2-methyl-1,8-naphthyridine-3-carboxylate (CID 66633785) is 1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl 2-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for 1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for 1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl 2-methyl-1,8-naphthyridine-3-carboxylate is Cc1nc2ncccc2cc1C(=O)OC(C)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is AZWUSVUJPACVGN-UHFFFAOYSA-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.
What are the key properties of 1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl 2-methyl-1,8-naphthyridine-3-carboxylate?
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 1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl 2-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 66633785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).