3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea

C30H32Cl2N4O2 — CID 42718667

IUPAC3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
SMILESCCCCCN(C(=O)Nc1ccc(Cl)cc1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C30H32Cl2N4O2/c1-4-6-9-17-35(30(38)34-26-16-15-21(31)19-24(26)32)27(5-2)28-33-25-14-8-7-13-23(25)29(37)36(28)22-12-10-11-20(3)18-22/h7-8,10-16,18-19,27H,4-6,9,17H2,1-3H3,(H,34,38)
InChIKeyWUNJJFHSDGIMAY-UHFFFAOYSA-N
MW551.52 g/mol
LogP8.18
Rot. Bonds9

About 3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea

3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea (PubChem CID 42718667) has the molecular formula C30H32Cl2N4O2 and a molecular weight of 551.52 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
PubChem CID42718667
Molecular FormulaC30H32Cl2N4O2
Molecular Weight551.52 g/mol
Exact Mass550.19
IUPAC Name3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
SMILESCCCCCN(C(=O)Nc1ccc(Cl)cc1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C30H32Cl2N4O2/c1-4-6-9-17-35(30(38)34-26-16-15-21(31)19-24(26)32)27(5-2)28-33-25-14-8-7-13-23(25)29(37)36(28)22-12-10-11-20(3)18-22/h7-8,10-16,18-19,27H,4-6,9,17H2,1-3H3,(H,34,38)
InChIKeyWUNJJFHSDGIMAY-UHFFFAOYSA-N
XLogP8.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.52
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea
CID 42718648
N-[(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbutanamide
CID 7481982
1-butyl-1-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2,4-difluorophenyl)urea
CID 42721213
N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
CID 42719199
3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 42718685
1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716190
3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea
CID 42713611
1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
CID 42720389
3-(4-bromophenyl)-1-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-hexylurea
CID 42657652
3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea
CID 42716184
N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
CID 42720398
1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42718679

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea (CID 42718667) is 3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea is CCCCCN(C(=O)Nc1ccc(Cl)cc1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1cccc(C)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea?
The InChIKey is WUNJJFHSDGIMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N4O2/c1-4-6-9-17-35(30(38)34-26-16-15-21(31)19-24(26)32)27(5-2)28-33-25-14-8-7-13-23(25)29(37)36(28)22-12-10-11-20(3)18-22/h7-8,10-16,18-19,27H,4-6,9,17H2,1-3H3,(H,34,38).
What are the key properties of 3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea?
3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea has a molecular weight of 551.52 g/mol, XLogP of 8.18, 9 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-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea is sourced from PubChem (CID 42718667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).