N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C21H26N4O4 — CID 24606088

IUPACN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CCC1Cc3ccccc3NC1=O)C2=O
InChIInChI=1S/C21H26N4O4/c1-13-8-10-21(11-9-13)19(28)25(20(29)23-21)24-17(26)7-6-15-12-14-4-2-3-5-16(14)22-18(15)27/h2-5,13,15H,6-12H2,1H3,(H,22,27)(H,23,29)(H,24,26)
InChIKeyCQCHSWVJWHHWRH-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.11
Rot. Bonds4

About N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 24606088) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID24606088
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CCC1Cc3ccccc3NC1=O)C2=O
InChIInChI=1S/C21H26N4O4/c1-13-8-10-21(11-9-13)19(28)25(20(29)23-21)24-17(26)7-6-15-12-14-4-2-3-5-16(14)22-18(15)27/h2-5,13,15H,6-12H2,1H3,(H,22,27)(H,23,29)(H,24,26)
InChIKeyCQCHSWVJWHHWRH-UHFFFAOYSA-N
XLogP2.11
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-phenylphenyl)acetamide
CID 27802749
N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30211328
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615607
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18143803
N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119430985
(2S)-3-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
CID 119359510
N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213
cis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675455
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132494
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24545847
3-indol-1-yl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 24545908

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 24606088) is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is CC1CCC2(CC1)NC(=O)N(NC(=O)CCC1Cc3ccccc3NC1=O)C2=O.
What is the InChIKey of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is CQCHSWVJWHHWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-13-8-10-21(11-9-13)19(28)25(20(29)23-21)24-17(26)7-6-15-12-14-4-2-3-5-16(14)22-18(15)27/h2-5,13,15H,6-12H2,1H3,(H,22,27)(H,23,29)(H,24,26).
What are the key properties of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 398.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 24606088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).