3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea

C25H32N4O2 — CID 42713300

IUPAC3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
SMILESCCCCN(C(=O)NCc1ccccc1)C(C)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C25H32N4O2/c1-4-6-17-28(25(31)26-18-20-12-8-7-9-13-20)19(3)23-27-22-15-11-10-14-21(22)24(30)29(23)16-5-2/h7-15,19H,4-6,16-18H2,1-3H3,(H,26,31)
InChIKeyPXOXHPIHQMKANT-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.88
Rot. Bonds9

About 3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea

3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea (PubChem CID 42713300) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea.

Molecular Properties

Compound Name3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
PubChem CID42713300
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
SMILESCCCCN(C(=O)NCc1ccccc1)C(C)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C25H32N4O2/c1-4-6-17-28(25(31)26-18-20-12-8-7-9-13-20)19(3)23-27-22-15-11-10-14-21(22)24(30)29(23)16-5-2/h7-15,19H,4-6,16-18H2,1-3H3,(H,26,31)
InChIKeyPXOXHPIHQMKANT-UHFFFAOYSA-N
XLogP4.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713309
1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 7301354
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976
3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 5006831
1-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-bromophenyl)-1-butylurea
CID 42713867
4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483
N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713290
2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide
CID 42713483
N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]furan-2-carboxamide
CID 42713243
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
CID 769672
N-(2-methoxyethyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42713326
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]pentanamide
CID 42713712

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
The IUPAC name of 3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea (CID 42713300) is 3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea.
What is the SMILES notation for 3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
The canonical SMILES for 3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea is CCCCN(C(=O)NCc1ccccc1)C(C)c1nc2ccccc2c(=O)n1CCC.
What is the InChIKey of 3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
The InChIKey is PXOXHPIHQMKANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-4-6-17-28(25(31)26-18-20-12-8-7-9-13-20)19(3)23-27-22-15-11-10-14-21(22)24(30)29(23)16-5-2/h7-15,19H,4-6,16-18H2,1-3H3,(H,26,31).
What are the key properties of 3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea has a molecular weight of 420.56 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea is sourced from PubChem (CID 42713300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).