2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C20H24FN3O3 — CID 72927024

IUPAC2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCO)CCCC12CCN(Cc1cc(=O)c3cccc(F)c3[nH]1)C2
InChIInChI=1S/C20H24FN3O3/c21-16-4-1-3-15-17(26)11-14(22-18(15)16)12-23-8-6-20(13-23)5-2-7-24(9-10-25)19(20)27/h1,3-4,11,25H,2,5-10,12-13H2,(H,22,26)
InChIKeyCHEQEHWFRDKKPN-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.47
Rot. Bonds4

About 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72927024) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72927024
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCO)CCCC12CCN(Cc1cc(=O)c3cccc(F)c3[nH]1)C2
InChIInChI=1S/C20H24FN3O3/c21-16-4-1-3-15-17(26)11-14(22-18(15)16)12-23-8-6-20(13-23)5-2-7-24(9-10-25)19(20)27/h1,3-4,11,25H,2,5-10,12-13H2,(H,22,26)
InChIKeyCHEQEHWFRDKKPN-UHFFFAOYSA-N
XLogP1.47
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-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

9-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 72837805
7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72894349
4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile
CID 97149326
1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628738
2-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 97119587
7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45235909
2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72843018
N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide
CID 97117367
(5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42510508
8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one
CID 135117930
2-[(5R)-7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-methylacetamide
CID 126451065
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(3-methylbutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42392250

Frequently Asked Questions

What is the IUPAC name of 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72927024) is 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CCO)CCCC12CCN(Cc1cc(=O)c3cccc(F)c3[nH]1)C2.
What is the InChIKey of 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CHEQEHWFRDKKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c21-16-4-1-3-15-17(26)11-14(22-18(15)16)12-23-8-6-20(13-23)5-2-7-24(9-10-25)19(20)27/h1,3-4,11,25H,2,5-10,12-13H2,(H,22,26).
What are the key properties of 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 373.43 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72927024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).