(5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

C21H26FN3O — CID 97197350

IUPAC(5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCC[C@@]2(CCN(c3cc(C)c4ccc(F)cc4n3)C2)C1=O
InChIInChI=1S/C21H26FN3O/c1-3-9-24-10-4-7-21(20(24)26)8-11-25(14-21)19-12-15(2)17-6-5-16(22)13-18(17)23-19/h5-6,12-13H,3-4,7-11,14H2,1-2H3/t21-/m0/s1
InChIKeyGSUAZAFOMHRNGS-NRFANRHFSA-N
MW355.46 g/mol
LogP3.91
Rot. Bonds3

About (5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97197350) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is (5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97197350
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name(5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCC[C@@]2(CCN(c3cc(C)c4ccc(F)cc4n3)C2)C1=O
InChIInChI=1S/C21H26FN3O/c1-3-9-24-10-4-7-21(20(24)26)8-11-25(14-21)19-12-15(2)17-6-5-16(22)13-18(17)23-19/h5-6,12-13H,3-4,7-11,14H2,1-2H3/t21-/m0/s1
InChIKeyGSUAZAFOMHRNGS-NRFANRHFSA-N
XLogP3.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72915393
(5R)-2-(8-methoxy-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97200151
7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 119060331
(5R)-2-(6-ethyl-4-methylquinolin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97208542
7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70731887
2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70715511
(6R)-2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95874599
(5R)-7-(2-methoxyethyl)-2-(4,7,8-trimethylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195240
(5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95860788
2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70775884
6-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 97145855
2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907338

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one (CID 97197350) is (5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCC[C@@]2(CCN(c3cc(C)c4ccc(F)cc4n3)C2)C1=O.
What is the InChIKey of (5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GSUAZAFOMHRNGS-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-3-9-24-10-4-7-21(20(24)26)8-11-25(14-21)19-12-15(2)17-6-5-16(22)13-18(17)23-19/h5-6,12-13H,3-4,7-11,14H2,1-2H3/t21-/m0/s1.
What are the key properties of (5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 355.46 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97197350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).