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

C20H24FN3O2 — CID 72915393

IUPAC2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(N2CCC3(CCCN(CCO)C3=O)C2)nc2cc(F)ccc12
InChIInChI=1S/C20H24FN3O2/c1-14-11-18(22-17-12-15(21)3-4-16(14)17)24-8-6-20(13-24)5-2-7-23(9-10-25)19(20)26/h3-4,11-12,25H,2,5-10,13H2,1H3
InChIKeyNQKVHWBWYFSZRI-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.49
Rot. Bonds3

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

2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72915393) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72915393
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(N2CCC3(CCCN(CCO)C3=O)C2)nc2cc(F)ccc12
InChIInChI=1S/C20H24FN3O2/c1-14-11-18(22-17-12-15(21)3-4-16(14)17)24-8-6-20(13-24)5-2-7-23(9-10-25)19(20)26/h3-4,11-12,25H,2,5-10,13H2,1H3
InChIKeyNQKVHWBWYFSZRI-UHFFFAOYSA-N
XLogP2.49
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97197350
7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 119060331
(5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109976
7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70731887
7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72845384
(6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96576819
7-(2-hydroxyethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72930580
(5R)-7-(2-methoxyethyl)-2-(4,7,8-trimethylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195240
(5R)-2-(6-ethyl-4-methylquinolin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97208542
(5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95860788
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

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72915393) is 2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(N2CCC3(CCCN(CCO)C3=O)C2)nc2cc(F)ccc12.
What is the InChIKey of 2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NQKVHWBWYFSZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14-11-18(22-17-12-15(21)3-4-16(14)17)24-8-6-20(13-24)5-2-7-23(9-10-25)19(20)26/h3-4,11-12,25H,2,5-10,13H2,1H3.
What are the key properties of 2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 357.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72915393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).