3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C29H32FN3O3 — CID 26139462

IUPAC3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1ccccc1C(=O)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1
InChIInChI=1S/C29H32FN3O3/c1-36-27-11-4-3-10-24(27)28(34)32-15-12-26-22(20-32)19-25(21-8-7-9-23(30)18-21)29(35)33(26)17-16-31-13-5-2-6-14-31/h3-4,7-11,18-19H,2,5-6,12-17,20H2,1H3
InChIKeyOTBAACZKUNSMAA-UHFFFAOYSA-N
MW489.59 g/mol
LogP4.35
Rot. Bonds6

About 3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26139462) has the molecular formula C29H32FN3O3 and a molecular weight of 489.59 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26139462
Molecular FormulaC29H32FN3O3
Molecular Weight489.59 g/mol
Exact Mass489.24
IUPAC Name3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1ccccc1C(=O)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1
InChIInChI=1S/C29H32FN3O3/c1-36-27-11-4-3-10-24(27)28(34)32-15-12-26-22(20-32)19-25(21-8-7-9-23(30)18-21)29(35)33(26)17-16-31-13-5-2-6-14-31/h3-4,7-11,18-19H,2,5-6,12-17,20H2,1H3
InChIKeyOTBAACZKUNSMAA-UHFFFAOYSA-N
XLogP4.35
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26220971
3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26137947
3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26133902
[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 83275727
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 18118711
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
6-[[3-(4-fluorophenyl)phenyl]methyl]-1-(2-methoxybenzoyl)-1,4-diazepan-5-one
CID 110229952
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207824
1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26141341
(2-chloro-4-fluorophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 38209263
6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26221930

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26139462) is 3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is COc1ccccc1C(=O)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is OTBAACZKUNSMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O3/c1-36-27-11-4-3-10-24(27)28(34)32-15-12-26-22(20-32)19-25(21-8-7-9-23(30)18-21)29(35)33(26)17-16-31-13-5-2-6-14-31/h3-4,7-11,18-19H,2,5-6,12-17,20H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 489.59 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26139462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).