3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea

C26H25ClN4O2 — CID 42720181

IUPAC3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
SMILESCc1ccc(-n2c(C(C)N(C)C(=O)Nc3cccc(Cl)c3)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C26H25ClN4O2/c1-16-12-13-23(17(2)14-16)31-24(29-22-11-6-5-10-21(22)25(31)32)18(3)30(4)26(33)28-20-9-7-8-19(27)15-20/h5-15,18H,1-4H3,(H,28,33)
InChIKeyUBZRGEBTAURNMZ-UHFFFAOYSA-N
MW460.97 g/mol
LogP5.88
Rot. Bonds4

About 3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea

3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea (PubChem CID 42720181) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
PubChem CID42720181
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC Name3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
SMILESCc1ccc(-n2c(C(C)N(C)C(=O)Nc3cccc(Cl)c3)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C26H25ClN4O2/c1-16-12-13-23(17(2)14-16)31-24(29-22-11-6-5-10-21(22)25(31)32)18(3)30(4)26(33)28-20-9-7-8-19(27)15-20/h5-15,18H,1-4H3,(H,28,33)
InChIKeyUBZRGEBTAURNMZ-UHFFFAOYSA-N
XLogP5.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.97
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-(3-chlorophenyl)-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
CID 42721577
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea
CID 42721579
3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
CID 42720179
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 42720157
3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 4319626
1-methyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(4-propan-2-ylphenyl)urea
CID 42718277
1-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(3-methylphenyl)urea
CID 42720303
1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-fluorophenyl)-1-(3-methoxypropyl)urea
CID 42728881
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-fluorophenyl)-1-methylurea
CID 3297749
1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea
CID 3478926

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea?
The IUPAC name of 3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea (CID 42720181) is 3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea?
The canonical SMILES for 3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea is Cc1ccc(-n2c(C(C)N(C)C(=O)Nc3cccc(Cl)c3)nc3ccccc3c2=O)c(C)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea?
The InChIKey is UBZRGEBTAURNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c1-16-12-13-23(17(2)14-16)31-24(29-22-11-6-5-10-21(22)25(31)32)18(3)30(4)26(33)28-20-9-7-8-19(27)15-20/h5-15,18H,1-4H3,(H,28,33).
What are the key properties of 3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea?
3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea has a molecular weight of 460.97 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea is sourced from PubChem (CID 42720181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).