3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C21H24N4O4 — CID 46977608

IUPAC3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1[nH]c2ccccc2c(=O)c1CCC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O
InChIInChI=1S/C21H24N4O4/c1-13-14(18(27)15-5-3-4-6-16(15)22-13)7-8-17(26)25-11-9-21(10-12-25)19(28)24(2)20(29)23-21/h3-6H,7-12H2,1-2H3,(H,22,27)(H,23,29)
InChIKeySIBLFWMTCCJBOH-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.31
Rot. Bonds3

About 3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 46977608) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID46977608
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1[nH]c2ccccc2c(=O)c1CCC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O
InChIInChI=1S/C21H24N4O4/c1-13-14(18(27)15-5-3-4-6-16(15)22-13)7-8-17(26)25-11-9-21(10-12-25)19(28)24(2)20(29)23-21/h3-6H,7-12H2,1-2H3,(H,22,27)(H,23,29)
InChIKeySIBLFWMTCCJBOH-UHFFFAOYSA-N
XLogP1.31
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[2-(2H-indazol-3-yl)acetyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 127419534
2-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50982689
3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one
CID 124755147
3-[3-[(6S)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one
CID 124752091
1-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110397400
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
3-methyl-8-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46978257
3-[4-(2-methyl-4-oxo-1H-quinolin-3-yl)butan-2-ylamino]propanoic acid
CID 122572631
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
1-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110397428
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 46977608) is 3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1[nH]c2ccccc2c(=O)c1CCC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O.
What is the InChIKey of 3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is SIBLFWMTCCJBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-13-14(18(27)15-5-3-4-6-16(15)22-13)7-8-17(26)25-11-9-21(10-12-25)19(28)24(2)20(29)23-21/h3-6H,7-12H2,1-2H3,(H,22,27)(H,23,29).
What are the key properties of 3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 396.45 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 46977608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).