3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea

C25H31BrN4O2 — CID 42713772

IUPAC3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
SMILESCCCCN(C(=O)Nc1ccccc1Br)C(CC)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C25H31BrN4O2/c1-4-7-17-29(25(32)28-21-15-11-9-13-19(21)26)22(6-3)23-27-20-14-10-8-12-18(20)24(31)30(23)16-5-2/h8-15,22H,4-7,16-17H2,1-3H3,(H,28,32)
InChIKeyBYONULROEMRZKR-UHFFFAOYSA-N
MW499.45 g/mol
LogP6.35
Rot. Bonds9

About 3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea

3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea (PubChem CID 42713772) has the molecular formula C25H31BrN4O2 and a molecular weight of 499.45 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
PubChem CID42713772
Molecular FormulaC25H31BrN4O2
Molecular Weight499.45 g/mol
Exact Mass498.16
IUPAC Name3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
SMILESCCCCN(C(=O)Nc1ccccc1Br)C(CC)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C25H31BrN4O2/c1-4-7-17-29(25(32)28-21-15-11-9-13-19(21)26)22(6-3)23-27-20-14-10-8-12-18(20)24(31)30(23)16-5-2/h8-15,22H,4-7,16-17H2,1-3H3,(H,28,32)
InChIKeyBYONULROEMRZKR-UHFFFAOYSA-N
XLogP6.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.45
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea with MolForge

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Related Compounds

3-(2-bromophenyl)-1-butyl-1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 5131817
1-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-bromophenyl)-1-butylurea
CID 42713867
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]pentanamide
CID 42713712
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
CID 42713720
1-benzyl-3-(2-bromophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712571
1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712982
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824
3-(2,4-dichlorophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-1-propylurea
CID 42713611
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976
1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716190
3-(2-bromophenyl)-1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 3497094
1-hexyl-3-(2-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42713559

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea?
The IUPAC name of 3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea (CID 42713772) is 3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea.
What is the SMILES notation for 3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea?
The canonical SMILES for 3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea is CCCCN(C(=O)Nc1ccccc1Br)C(CC)c1nc2ccccc2c(=O)n1CCC.
What is the InChIKey of 3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea?
The InChIKey is BYONULROEMRZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31BrN4O2/c1-4-7-17-29(25(32)28-21-15-11-9-13-19(21)26)22(6-3)23-27-20-14-10-8-12-18(20)24(31)30(23)16-5-2/h8-15,22H,4-7,16-17H2,1-3H3,(H,28,32).
What are the key properties of 3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea?
3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea has a molecular weight of 499.45 g/mol, XLogP of 6.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea is sourced from PubChem (CID 42713772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).