6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C21H27N3O3 — CID 51149010

IUPAC6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc2c(c1)CCCN2C(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C21H27N3O3/c1-14-8-9-17-16(12-14)7-5-11-23(17)18(25)13-24-19(26)21(22-20(24)27)10-4-3-6-15(21)2/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,22,27)
InChIKeyUKUZIMJHWSOSMM-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.77
Rot. Bonds2

About 6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 51149010) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID51149010
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc2c(c1)CCCN2C(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C21H27N3O3/c1-14-8-9-17-16(12-14)7-5-11-23(17)18(25)13-24-19(26)21(22-20(24)27)10-4-3-6-15(21)2/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,22,27)
InChIKeyUKUZIMJHWSOSMM-UHFFFAOYSA-N
XLogP2.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3-[2-oxo-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55671478
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
(5R,6R)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571777
(5R,6S)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571778
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
N-(3,5-dimethylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703524
(2,5-dimethylphenyl)methyl 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469843
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8943432
(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181629
(5S,6R)-3-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 124718752
(3-methylphenyl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480653

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 51149010) is 6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccc2c(c1)CCCN2C(=O)CN1C(=O)NC2(CCCCC2C)C1=O.
What is the InChIKey of 6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is UKUZIMJHWSOSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-8-9-17-16(12-14)7-5-11-23(17)18(25)13-24-19(26)21(22-20(24)27)10-4-3-6-15(21)2/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,22,27).
What are the key properties of 6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 369.47 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 51149010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).