8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C21H25FN4O2 — CID 165427398

IUPAC8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(N2CCC3(CC2)C(=O)NC(=O)N3CC(C)C)nc2cc(F)ccc12
InChIInChI=1S/C21H25FN4O2/c1-13(2)12-26-20(28)24-19(27)21(26)6-8-25(9-7-21)18-10-14(3)16-5-4-15(22)11-17(16)23-18/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,24,27,28)
InChIKeyYXLIFQIXSAVIOS-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.23
Rot. Bonds3

About 8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165427398) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165427398
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(N2CCC3(CC2)C(=O)NC(=O)N3CC(C)C)nc2cc(F)ccc12
InChIInChI=1S/C21H25FN4O2/c1-13(2)12-26-20(28)24-19(27)21(26)6-8-25(9-7-21)18-10-14(3)16-5-4-15(22)11-17(16)23-18/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,24,27,28)
InChIKeyYXLIFQIXSAVIOS-UHFFFAOYSA-N
XLogP3.23
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]quinoline-4-carboxylic acid
CID 166619103
1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70755419
4-(7-fluoro-4-methylquinolin-2-yl)thiomorpholine
CID 31196475
(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
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
2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70775884
6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline
CID 46891905
8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166617513
2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile
CID 84619654
(3aR,4R,7aS)-4-ethyl-2-(7-fluoro-4-methylquinolin-2-yl)-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 135116195

Frequently Asked Questions

What is the IUPAC name of 8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165427398) is 8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1cc(N2CCC3(CC2)C(=O)NC(=O)N3CC(C)C)nc2cc(F)ccc12.
What is the InChIKey of 8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is YXLIFQIXSAVIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-13(2)12-26-20(28)24-19(27)21(26)6-8-25(9-7-21)18-10-14(3)16-5-4-15(22)11-17(16)23-18/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,24,27,28).
What are the key properties of 8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 384.46 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-fluoro-4-methylquinolin-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165427398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).