3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea

C27H26Cl2N4O2 — CID 4319626

IUPAC3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)N(C)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C27H26Cl2N4O2/c1-5-23(32(4)27(35)31-22-12-11-18(28)15-20(22)29)25-30-21-9-7-6-8-19(21)26(34)33(25)24-13-10-16(2)14-17(24)3/h6-15,23H,5H2,1-4H3,(H,31,35)
InChIKeyCEAHJSSQXTVLHT-UHFFFAOYSA-N
MW509.44 g/mol
LogP6.92
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea

3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea (PubChem CID 4319626) has the molecular formula C27H26Cl2N4O2 and a molecular weight of 509.44 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
PubChem CID4319626
Molecular FormulaC27H26Cl2N4O2
Molecular Weight509.44 g/mol
Exact Mass508.14
IUPAC Name3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)N(C)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C27H26Cl2N4O2/c1-5-23(32(4)27(35)31-22-12-11-18(28)15-20(22)29)25-30-21-9-7-6-8-19(21)26(34)33(25)24-13-10-16(2)14-17(24)3/h6-15,23H,5H2,1-4H3,(H,31,35)
InChIKeyCEAHJSSQXTVLHT-UHFFFAOYSA-N
XLogP6.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.44
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea with MolForge

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Related Compounds

1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea
CID 3478926
3-benzyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 42722246
3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
CID 42720181
3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
CID 42718667
1-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(3-methylphenyl)urea
CID 42720303
3-(4-bromophenyl)-1-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
CID 42720263
3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 42722811
1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea
CID 42720184
3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42720531
N-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopropanecarboxamide
CID 42720251
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea
CID 42719804
3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one
CID 42711270

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea (CID 4319626) is 3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea is CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)N(C)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea?
The InChIKey is CEAHJSSQXTVLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N4O2/c1-5-23(32(4)27(35)31-22-12-11-18(28)15-20(22)29)25-30-21-9-7-6-8-19(21)26(34)33(25)24-13-10-16(2)14-17(24)3/h6-15,23H,5H2,1-4H3,(H,31,35).
What are the key properties of 3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea?
3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea has a molecular weight of 509.44 g/mol, XLogP of 6.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea is sourced from PubChem (CID 4319626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).