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

C25H26FN3O — CID 119060331

IUPAC7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(N2CCC3(CCCN(Cc4ccccc4F)C3=O)C2)nc2ccccc12
InChIInChI=1S/C25H26FN3O/c1-18-15-23(27-22-10-5-3-8-20(18)22)29-14-12-25(17-29)11-6-13-28(24(25)30)16-19-7-2-4-9-21(19)26/h2-5,7-10,15H,6,11-14,16-17H2,1H3
InChIKeyJBMQFFAJNVILHO-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.70
Rot. Bonds3

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

7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 119060331) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID119060331
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(N2CCC3(CCCN(Cc4ccccc4F)C3=O)C2)nc2ccccc12
InChIInChI=1S/C25H26FN3O/c1-18-15-23(27-22-10-5-3-8-20(18)22)29-14-12-25(17-29)11-6-13-28(24(25)30)16-19-7-2-4-9-21(19)26/h2-5,7-10,15H,6,11-14,16-17H2,1H3
InChIKeyJBMQFFAJNVILHO-UHFFFAOYSA-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 7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95860788
7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70731887
(5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97197350
2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72915393
(5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42510508
2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 119065189
(5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95861653
(5R)-2-(6-ethyl-4-methylquinolin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97208542
(5S)-7-[(2-fluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25370197
(5R)-7-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25294122
2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45187458
2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 67984473

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 119060331) is 7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(N2CCC3(CCCN(Cc4ccccc4F)C3=O)C2)nc2ccccc12.
What is the InChIKey of 7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JBMQFFAJNVILHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c1-18-15-23(27-22-10-5-3-8-20(18)22)29-14-12-25(17-29)11-6-13-28(24(25)30)16-19-7-2-4-9-21(19)26/h2-5,7-10,15H,6,11-14,16-17H2,1H3.
What are the key properties of 7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-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 7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 119060331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).