3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one

C28H29FN4O3 — CID 144500181

IUPAC3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2ncc(F)c(CCC34CCC(NCc5cc6ccccc6[nH]c5=O)(CC3)CO4)c2n1
InChIInChI=1S/C28H29FN4O3/c1-35-24-7-6-23-25(33-24)20(21(29)16-30-23)8-9-28-12-10-27(11-13-28,17-36-28)31-15-19-14-18-4-2-3-5-22(18)32-26(19)34/h2-7,14,16,31H,8-13,15,17H2,1H3,(H,32,34)
InChIKeyGNKBQDXEUIPDRI-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.42
Rot. Bonds7

About 3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one

3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one (PubChem CID 144500181) has the molecular formula C28H29FN4O3 and a molecular weight of 488.56 g/mol. Its IUPAC name is 3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one
PubChem CID144500181
Molecular FormulaC28H29FN4O3
Molecular Weight488.56 g/mol
Exact Mass488.22
IUPAC Name3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2ncc(F)c(CCC34CCC(NCc5cc6ccccc6[nH]c5=O)(CC3)CO4)c2n1
InChIInChI=1S/C28H29FN4O3/c1-35-24-7-6-23-25(33-24)20(21(29)16-30-23)8-9-28-12-10-27(11-13-28,17-36-28)31-15-19-14-18-4-2-3-5-22(18)32-26(19)34/h2-7,14,16,31H,8-13,15,17H2,1H3,(H,32,34)
InChIKeyGNKBQDXEUIPDRI-UHFFFAOYSA-N
XLogP4.42
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1-methylquinolin-2-one
CID 71153126
N-[(4,5-dimethoxy-2-pyridinyl)methyl]-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-amine
CID 71153210
5-chloro-3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1-methylquinolin-2-one
CID 71152770
7-fluoro-6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-8-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71181495
N-[(E)-3-(2,5-difluorophenyl)prop-2-enyl]-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-amine
CID 89315874
7-fluoro-6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4-iodo-8-methylpyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 173494945
N-[(4,5-dimethoxy-2-pyridinyl)methyl]-1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-amine
CID 90362894
[1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
CID 71152836
1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-2-oxabicyclo[2.2.2]octan-4-amine
CID 90362920
1-[2-[6-(4-aminobutoxy)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-N-[(2-oxo-1H-pyrido[2,3-e][1,3,4]oxathiazin-7-yl)methyl]-2-oxabicyclo[2.2.2]octan-4-amine;ethane
CID 144500150
ethane;6-[[[1-[2-(3-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 144500237
5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine
CID 90362913

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one (CID 144500181) is 3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one is COc1ccc2ncc(F)c(CCC34CCC(NCc5cc6ccccc6[nH]c5=O)(CC3)CO4)c2n1.
What is the InChIKey of 3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is GNKBQDXEUIPDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O3/c1-35-24-7-6-23-25(33-24)20(21(29)16-30-23)8-9-28-12-10-27(11-13-28,17-36-28)31-15-19-14-18-4-2-3-5-22(18)32-26(19)34/h2-7,14,16,31H,8-13,15,17H2,1H3,(H,32,34).
What are the key properties of 3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one?
3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 488.56 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 144500181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).