(5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C25H28FN3O3 — CID 124975758

IUPAC(5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1O[C@@]2(CCCN(CC(=O)N3CCCc4ccccc43)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C25H28FN3O3/c26-20-8-10-21(11-9-20)29-18-25(32-24(29)31)12-4-14-27(16-13-25)17-23(30)28-15-3-6-19-5-1-2-7-22(19)28/h1-2,5,7-11H,3-4,6,12-18H2/t25-/m1/s1
InChIKeyLAKJXFKTUVCXOK-RUZDIDTESA-N
MW437.52 g/mol
LogP3.99
Rot. Bonds3

About (5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 124975758) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is (5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID124975758
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name(5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1O[C@@]2(CCCN(CC(=O)N3CCCc4ccccc43)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C25H28FN3O3/c26-20-8-10-21(11-9-20)29-18-25(32-24(29)31)12-4-14-27(16-13-25)17-23(30)28-15-3-6-19-5-1-2-7-22(19)28/h1-2,5,7-11H,3-4,6,12-18H2/t25-/m1/s1
InChIKeyLAKJXFKTUVCXOK-RUZDIDTESA-N
XLogP3.99
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone
CID 91833895
(5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722710
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103728544
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60645184
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719141
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119883288
(5R)-3-(4-fluorophenyl)-9-[3-(1-methylindol-3-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 125004473
N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433473

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 124975758) is (5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1O[C@@]2(CCCN(CC(=O)N3CCCc4ccccc43)CC2)CN1c1ccc(F)cc1.
What is the InChIKey of (5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is LAKJXFKTUVCXOK-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28FN3O3/c26-20-8-10-21(11-9-20)29-18-25(32-24(29)31)12-4-14-27(16-13-25)17-23(30)28-15-3-6-19-5-1-2-7-22(19)28/h1-2,5,7-11H,3-4,6,12-18H2/t25-/m1/s1.
What are the key properties of (5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 437.52 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 124975758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).