4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one

C26H29N3O2 — CID 53490455

IUPAC4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESCc1ccc(C2=NC3(CCCCC3)N(CC(=O)N3CCCc4ccccc43)C2=O)cc1
InChIInChI=1S/C26H29N3O2/c1-19-11-13-21(14-12-19)24-25(31)29(26(27-24)15-5-2-6-16-26)18-23(30)28-17-7-9-20-8-3-4-10-22(20)28/h3-4,8,10-14H,2,5-7,9,15-18H2,1H3
InChIKeyZJQHVFIMWQHKEI-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.27
Rot. Bonds3

About 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one

4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one (PubChem CID 53490455) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one.

Molecular Properties

Compound Name4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one
PubChem CID53490455
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one
SMILESCc1ccc(C2=NC3(CCCCC3)N(CC(=O)N3CCCc4ccccc43)C2=O)cc1
InChIInChI=1S/C26H29N3O2/c1-19-11-13-21(14-12-19)24-25(31)29(26(27-24)15-5-2-6-16-26)18-23(30)28-17-7-9-20-8-3-4-10-22(20)28/h3-4,8,10-14H,2,5-7,9,15-18H2,1H3
InChIKeyZJQHVFIMWQHKEI-UHFFFAOYSA-N
XLogP4.27
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2126300
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
2-(4-chlorophenyl)-4-(2-oxopropyl)-1,4-diazaspiro[4.5]dec-1-en-3-one;ethane
CID 143400887
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432104
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103728544
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 2433301
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
N-(2-fluoro-5-methylphenyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24743623
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one
CID 7747963
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 17424794
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone
CID 65463000

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one?
The IUPAC name of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one (CID 53490455) is 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one.
What is the SMILES notation for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one?
The canonical SMILES for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one is Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)N3CCCc4ccccc43)C2=O)cc1.
What is the InChIKey of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one?
The InChIKey is ZJQHVFIMWQHKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-19-11-13-21(14-12-19)24-25(31)29(26(27-24)15-5-2-6-16-26)18-23(30)28-17-7-9-20-8-3-4-10-22(20)28/h3-4,8,10-14H,2,5-7,9,15-18H2,1H3.
What are the key properties of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one?
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one has a molecular weight of 415.54 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-1-en-3-one is sourced from PubChem (CID 53490455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).