(5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C25H26FN3O — CID 95861653

IUPAC(5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(N2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)c2ccccc2n1
InChIInChI=1S/C25H26FN3O/c1-18-15-23(21-5-2-3-6-22(21)27-18)29-14-12-25(17-29)11-4-13-28(24(25)30)16-19-7-9-20(26)10-8-19/h2-3,5-10,15H,4,11-14,16-17H2,1H3/t25-/m1/s1
InChIKeyIZIATSIXFQKLOC-RUZDIDTESA-N
MW403.50 g/mol
LogP4.70
Rot. Bonds3

About (5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 95861653) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is (5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID95861653
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name(5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(N2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)c2ccccc2n1
InChIInChI=1S/C25H26FN3O/c1-18-15-23(21-5-2-3-6-22(21)27-18)29-14-12-25(17-29)11-4-13-28(24(25)30)16-19-7-9-20(26)10-8-19/h2-3,5-10,15H,4,11-14,16-17H2,1H3/t25-/m1/s1
InChIKeyIZIATSIXFQKLOC-RUZDIDTESA-N
XLogP4.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5R)-7-methyl-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97210264
(5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195471
(5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95860788
7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 119060331
1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione
CID 45251564
7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70731887
2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45223915
7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56900937
7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45235909
(5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95876805
(5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 42344770
(5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97197350

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 95861653) is (5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(N2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)c2ccccc2n1.
What is the InChIKey of (5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is IZIATSIXFQKLOC-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26FN3O/c1-18-15-23(21-5-2-3-6-22(21)27-18)29-14-12-25(17-29)11-4-13-28(24(25)30)16-19-7-9-20(26)10-8-19/h2-3,5-10,15H,4,11-14,16-17H2,1H3/t25-/m1/s1.
What are the key properties of (5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 403.50 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 95861653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).