6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

C21H21N3O4 — CID 665820

IUPAC6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCOc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C21H21N3O4/c1-13-4-6-15(7-5-13)24-19(26)21(18(25)22-20(24)27)11-14-10-16(28-3)8-9-17(14)23(2)12-21/h4-10H,11-12H2,1-3H3,(H,22,25,27)
InChIKeyDDAKOTHPMXHPST-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.27
Rot. Bonds2

About 6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (PubChem CID 665820) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.

Molecular Properties

Compound Name6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
PubChem CID665820
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCOc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C21H21N3O4/c1-13-4-6-15(7-5-13)24-19(26)21(18(25)22-20(24)27)11-14-10-16(28-3)8-9-17(14)23(2)12-21/h4-10H,11-12H2,1-3H3,(H,22,25,27)
InChIKeyDDAKOTHPMXHPST-UHFFFAOYSA-N
XLogP2.27
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione 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

2-(2-(Dimethylamino)ethyl)-6-((2-(dimethylamino)ethyl)amino)-9-methoxy-1H,7H-pyrimido[5,6,1-de]acridine-1,3,7(2H)-trione hydrochloride
CID 392062
1-(2-methoxyphenyl)-1',6'-dimethyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
CID 666293
1-(4-fluorophenyl)-6'-methoxy-1'-methyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
CID 667009
3-(3,5-dimethoxybenzyl)-6-hydroxy-1',6'-dimethyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
CID 667026
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)butanamide
CID 3239615
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)pentanamide
CID 3241818
2-[4-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)phenyl]-N-(3-methoxybenzyl)acetamide
CID 3599783
10-[2-(Dimethylamino)ethylamino]-5-methoxy-15-propyl-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione
CID 44374619
N-{1-[3-(6-Methoxy-2-oxo-3,4-dihydro-2H-quinolin-1-yl)-propyl]-piperidin-4-yl}-2-phenyl-acetamide
CID 46929969
N-[4-[2-[6-methoxy-4-oxo-3-[4-(2-oxopiperidin-1-yl)phenyl]-2H-quinazolin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 137638370
1-(3-methoxyphenyl)-1',6'-dimethyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
CID 665347
3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione
CID 51352879

Frequently Asked Questions

What is the IUPAC name of 6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The IUPAC name of 6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (CID 665820) is 6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
What is the SMILES notation for 6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The canonical SMILES for 6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is COc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of 6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The InChIKey is DDAKOTHPMXHPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13-4-6-15(7-5-13)24-19(26)21(18(25)22-20(24)27)11-14-10-16(28-3)8-9-17(14)23(2)12-21/h4-10H,11-12H2,1-3H3,(H,22,25,27).
What are the key properties of 6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione has a molecular weight of 379.42 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methoxy-1'-methyl-1-(4-methylphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is sourced from PubChem (CID 665820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).