2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid

C23H22F3N3O3 — CID 66746178

IUPAC2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid
SMILESCc1nc2nccc(C(C)c3ccc(N4CCOCC4)c(C(F)(F)F)c3)c2cc1C(=O)O
InChIInChI=1S/C23H22F3N3O3/c1-13(16-5-6-27-21-18(16)12-17(22(30)31)14(2)28-21)15-3-4-20(19(11-15)23(24,25)26)29-7-9-32-10-8-29/h3-6,11-13H,7-10H2,1-2H3,(H,30,31)
InChIKeyFVAIWXWQUVMMOY-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.64
Rot. Bonds4

About 2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid

2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid (PubChem CID 66746178) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid
PubChem CID66746178
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid
SMILESCc1nc2nccc(C(C)c3ccc(N4CCOCC4)c(C(F)(F)F)c3)c2cc1C(=O)O
InChIInChI=1S/C23H22F3N3O3/c1-13(16-5-6-27-21-18(16)12-17(22(30)31)14(2)28-21)15-3-4-20(19(11-15)23(24,25)26)29-7-9-32-10-8-29/h3-6,11-13H,7-10H2,1-2H3,(H,30,31)
InChIKeyFVAIWXWQUVMMOY-UHFFFAOYSA-N
XLogP4.64
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid (CID 66746178) is 2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid is Cc1nc2nccc(C(C)c3ccc(N4CCOCC4)c(C(F)(F)F)c3)c2cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is FVAIWXWQUVMMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-13(16-5-6-27-21-18(16)12-17(22(30)31)14(2)28-21)15-3-4-20(19(11-15)23(24,25)26)29-7-9-32-10-8-29/h3-6,11-13H,7-10H2,1-2H3,(H,30,31).
What are the key properties of 2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid?
2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 445.44 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 66746178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).