2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

C22H26FN3O — CID 70775884

IUPAC2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCCC3(CCC(=O)N(C4CC4)C3)C2)nc2cc(F)ccc12
InChIInChI=1S/C22H26FN3O/c1-15-11-20(24-19-12-16(23)3-6-18(15)19)25-10-2-8-22(13-25)9-7-21(27)26(14-22)17-4-5-17/h3,6,11-12,17H,2,4-5,7-10,13-14H2,1H3
InChIKeyQWUBQKHLHVIYRY-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.05
Rot. Bonds2

About 2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70775884) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70775884
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCCC3(CCC(=O)N(C4CC4)C3)C2)nc2cc(F)ccc12
InChIInChI=1S/C22H26FN3O/c1-15-11-20(24-19-12-16(23)3-6-18(15)19)25-10-2-8-22(13-25)9-7-21(27)26(14-22)17-4-5-17/h3,6,11-12,17H,2,4-5,7-10,13-14H2,1H3
InChIKeyQWUBQKHLHVIYRY-UHFFFAOYSA-N
XLogP4.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

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
(6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96576819
8-(6-chloroquinolin-2-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70711030
(6R)-2-cyclopropyl-8-(5-fluoro-2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecan-3-one
CID 97115364
(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
1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70755419
2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70716601
4-(7-fluoro-4-methylquinolin-2-yl)thiomorpholine
CID 31196475
(6R)-2-cyclopropyl-N-(2,4-difluorophenyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97122233
2-cyclopentyl-8-[4-(ethylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70715700

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70775884) is 2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1cc(N2CCCC3(CCC(=O)N(C4CC4)C3)C2)nc2cc(F)ccc12.
What is the InChIKey of 2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is QWUBQKHLHVIYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-15-11-20(24-19-12-16(23)3-6-18(15)19)25-10-2-8-22(13-25)9-7-21(27)26(14-22)17-4-5-17/h3,6,11-12,17H,2,4-5,7-10,13-14H2,1H3.
What are the key properties of 2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 367.47 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70775884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).