1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

C21H18ClN3O3 — CID 3053156

IUPAC1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1ccc(N2C(=O)CCC(n3c(C)nc4ccccc4c3=O)C2=O)cc1Cl
InChIInChI=1S/C21H18ClN3O3/c1-12-7-8-14(11-16(12)22)25-19(26)10-9-18(21(25)28)24-13(2)23-17-6-4-3-5-15(17)20(24)27/h3-8,11,18H,9-10H2,1-2H3
InChIKeyCOPSVUTZPKLNEY-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.56
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (PubChem CID 3053156) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
PubChem CID3053156
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1ccc(N2C(=O)CCC(n3c(C)nc4ccccc4c3=O)C2=O)cc1Cl
InChIInChI=1S/C21H18ClN3O3/c1-12-7-8-14(11-16(12)22)25-19(26)10-9-18(21(25)28)24-13(2)23-17-6-4-3-5-15(17)20(24)27/h3-8,11,18H,9-10H2,1-2H3
InChIKeyCOPSVUTZPKLNEY-UHFFFAOYSA-N
XLogP3.56
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione 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-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione
CID 3028978
17-(3-chloro-4-methylphenyl)-13-cyclopentyl-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 3804301
(3S)-1-(3-chloro-4-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-2,5-dione
CID 947887
1-(3-chloro-4-methylphenyl)-3-[[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]urea
CID 86344128
3-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235872
(3S)-3-amino-1-(3,4-dichlorophenyl)piperidine-2,6-dione
CID 39221355
(3aR,4R,7S,7aS)-2-(3-chloro-4-methylphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99641496
(3aR,4R,7R,7aS)-2-(3-chloro-4-methylphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 129441317
(2S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 42260725
3-(3-chloro-4-methylphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one
CID 2569838
2-(3-chloro-4-methylphenyl)-5,6,7,8,9,9a-hexahydroimidazo[1,5-a]azepine-1,3-dione
CID 64564457
(3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-(3-chloro-4-methylphenyl)pyrrolidine-2,5-dione
CID 6988132

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (CID 3053156) is 1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is Cc1ccc(N2C(=O)CCC(n3c(C)nc4ccccc4c3=O)C2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is COPSVUTZPKLNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-12-7-8-14(11-16(12)22)25-19(26)10-9-18(21(25)28)24-13(2)23-17-6-4-3-5-15(17)20(24)27/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 395.85 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 3053156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).