7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione

C21H13Cl3N4O3 — CID 18269560

IUPAC7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione
SMILESCn1c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)c2c1nc1oc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C21H13Cl3N4O3/c1-26-18-17(19(29)28(21(26)30)9-12-4-7-14(23)8-15(12)24)27-10-16(31-20(27)25-18)11-2-5-13(22)6-3-11/h2-8,10H,9H2,1H3
InChIKeyQQEIDDDWCYJVBQ-UHFFFAOYSA-N
MW475.72 g/mol
LogP4.62
Rot. Bonds3

About 7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione

7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione (PubChem CID 18269560) has the molecular formula C21H13Cl3N4O3 and a molecular weight of 475.72 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione
PubChem CID18269560
Molecular FormulaC21H13Cl3N4O3
Molecular Weight475.72 g/mol
Exact Mass474.01
IUPAC Name7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione
SMILESCn1c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)c2c1nc1oc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C21H13Cl3N4O3/c1-26-18-17(19(29)28(21(26)30)9-12-4-7-14(23)8-15(12)24)27-10-16(31-20(27)25-18)11-2-5-13(22)6-3-11/h2-8,10H,9H2,1H3
InChIKeyQQEIDDDWCYJVBQ-UHFFFAOYSA-N
XLogP4.62
TPSA74.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.72
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione with MolForge

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-7-(4-fluorophenyl)-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 16626511
ethyl 2-[7-(4-chlorophenyl)-4-methyl-1,3-dioxopurino[8,7-b][1,3]oxazol-2-yl]acetate
CID 4963115
4-methyl-2-[(4-methylphenyl)methyl]-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 16626122
2-[(2,5-dimethylphenyl)methyl]-4-methyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 16626724
8-(4-chlorophenyl)sulfanyl-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
CID 3926441
6-[(2,4-dichlorophenyl)methyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 6484988
2-[(2-chloro-6-fluorophenyl)methyl]-4,7-dimethylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 4971772
1-[(2,4-dichlorophenyl)methyl]-8-(1-hydroxypropan-2-ylamino)-3,7-dimethylpurine-2,6-dione
CID 3424042
7-tert-butyl-2-[(2,5-dimethylphenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 16615118
(7S)-3-[(2,4-dichlorophenyl)methyl]-1,7-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 40929066
3-[(2,4-dichlorophenyl)methyl]-1-methyl-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3565472
7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
CID 5102128

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione?
The IUPAC name of 7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione (CID 18269560) is 7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione.
What is the SMILES notation for 7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione?
The canonical SMILES for 7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione is Cn1c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)c2c1nc1oc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione?
The InChIKey is QQEIDDDWCYJVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3N4O3/c1-26-18-17(19(29)28(21(26)30)9-12-4-7-14(23)8-15(12)24)27-10-16(31-20(27)25-18)11-2-5-13(22)6-3-11/h2-8,10H,9H2,1H3.
What are the key properties of 7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione?
7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione has a molecular weight of 475.72 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione is sourced from PubChem (CID 18269560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).