1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea

C24H28Cl2N4O2 — CID 42712982

IUPAC1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
SMILESCCCCN(C(=O)Nc1cccc(Cl)c1Cl)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C24H28Cl2N4O2/c1-4-7-15-30(24(32)28-19-14-10-12-17(25)21(19)26)20(5-2)22-27-18-13-9-8-11-16(18)23(31)29(22)6-3/h8-14,20H,4-7,15H2,1-3H3,(H,28,32)
InChIKeyCZEDEZOBCDVNOJ-UHFFFAOYSA-N
MW475.42 g/mol
LogP6.51
Rot. Bonds8

About 1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea

1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea (PubChem CID 42712982) has the molecular formula C24H28Cl2N4O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea.

Molecular Properties

Compound Name1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
PubChem CID42712982
Molecular FormulaC24H28Cl2N4O2
Molecular Weight475.42 g/mol
Exact Mass474.16
IUPAC Name1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
SMILESCCCCN(C(=O)Nc1cccc(Cl)c1Cl)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C24H28Cl2N4O2/c1-4-7-15-30(24(32)28-19-14-10-12-17(25)21(19)26)20(5-2)22-27-18-13-9-8-11-16(18)23(31)29(22)6-3/h8-14,20H,4-7,15H2,1-3H3,(H,28,32)
InChIKeyCZEDEZOBCDVNOJ-UHFFFAOYSA-N
XLogP6.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea 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

3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea
CID 42716184
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976
3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
CID 42713772
N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 42712034
3-(2,3-dichlorophenyl)-1-(3-methylbutyl)-1-[(1S)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 98422054
1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)urea
CID 42712646
3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea
CID 42712752
3-(2,3-dichlorophenyl)-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 42721067
1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716190
3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42714465
3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea
CID 42713611
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea?
The IUPAC name of 1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea (CID 42712982) is 1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea.
What is the SMILES notation for 1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea?
The canonical SMILES for 1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea is CCCCN(C(=O)Nc1cccc(Cl)c1Cl)C(CC)c1nc2ccccc2c(=O)n1CC.
What is the InChIKey of 1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea?
The InChIKey is CZEDEZOBCDVNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O2/c1-4-7-15-30(24(32)28-19-14-10-12-17(25)21(19)26)20(5-2)22-27-18-13-9-8-11-16(18)23(31)29(22)6-3/h8-14,20H,4-7,15H2,1-3H3,(H,28,32).
What are the key properties of 1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea?
1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea has a molecular weight of 475.42 g/mol, XLogP of 6.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea is sourced from PubChem (CID 42712982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).