1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione

C24H20ClN3O3 — CID 4889966

IUPAC1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione
SMILESCc1ccc(N2C(=O)NC(=O)C3(Cc4c(ccc5ccccc45)N(C)C3)C2=O)cc1Cl
InChIInChI=1S/C24H20ClN3O3/c1-14-7-9-16(11-19(14)25)28-22(30)24(21(29)26-23(28)31)12-18-17-6-4-3-5-15(17)8-10-20(18)27(2)13-24/h3-11H,12-13H2,1-2H3,(H,26,29,31)
InChIKeyVOUKCSHUPLLTMQ-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.06
Rot. Bonds1

About 1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione

1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione (PubChem CID 4889966) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione
PubChem CID4889966
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione
SMILESCc1ccc(N2C(=O)NC(=O)C3(Cc4c(ccc5ccccc45)N(C)C3)C2=O)cc1Cl
InChIInChI=1S/C24H20ClN3O3/c1-14-7-9-16(11-19(14)25)28-22(30)24(21(29)26-23(28)31)12-18-17-6-4-3-5-15(17)8-10-20(18)27(2)13-24/h3-11H,12-13H2,1-2H3,(H,26,29,31)
InChIKeyVOUKCSHUPLLTMQ-UHFFFAOYSA-N
XLogP4.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-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

1-(3,4-Dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
CID 665424
1',6'-dimethyl-1-(m-tolyl)-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
CID 665844
1,3,4'-Trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione
CID 666281
1-(2,3-Dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
CID 666408
1-Butan-2-yl-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione
CID 666463
1-(3-chlorophenyl)-2-hydroxy-1',2',3',3a'-tetrahydro-4H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-4,6(1H)-dione
CID 666818
1-(2,5-Dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
CID 667312
1',6'-dimethyl-1-(2-methylphenyl)-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
CID 666205
12-(2-Chloro-6-fluorophenyl)-7,8,9,10,11,12-hexahydrobenzo[f]pyrimido[4,5-b]quinoline-9,11-dione
CID 129748836
(5R)-1',6'-dimethyl-1-naphthalen-1-ylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
CID 1392297
(5S)-1-(2,4-dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
CID 1850400
(5S)-1-(4-fluorophenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione
CID 1940836

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione (CID 4889966) is 1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione is Cc1ccc(N2C(=O)NC(=O)C3(Cc4c(ccc5ccccc45)N(C)C3)C2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione?
The InChIKey is VOUKCSHUPLLTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-14-7-9-16(11-19(14)25)28-22(30)24(21(29)26-23(28)31)12-18-17-6-4-3-5-15(17)8-10-20(18)27(2)13-24/h3-11H,12-13H2,1-2H3,(H,26,29,31).
What are the key properties of 1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione?
1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione has a molecular weight of 433.90 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-4'-methylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione is sourced from PubChem (CID 4889966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).