1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea

C29H32N4O2 — CID 42715572

IUPAC1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
SMILESCCCCN(C(=O)Nc1ccc(CC)cc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C29H32N4O2/c1-4-6-20-32(29(35)30-23-18-16-22(5-2)17-19-23)21(3)27-31-26-15-11-10-14-25(26)28(34)33(27)24-12-8-7-9-13-24/h7-19,21H,4-6,20H2,1-3H3,(H,30,35)
InChIKeyLLGOMQYBKMDBSJ-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.34
Rot. Bonds8

About 1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea

1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea (PubChem CID 42715572) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
PubChem CID42715572
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
SMILESCCCCN(C(=O)Nc1ccc(CC)cc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C29H32N4O2/c1-4-6-20-32(29(35)30-23-18-16-22(5-2)17-19-23)21(3)27-31-26-15-11-10-14-25(26)28(34)33(27)24-12-8-7-9-13-24/h7-19,21H,4-6,20H2,1-3H3,(H,30,35)
InChIKeyLLGOMQYBKMDBSJ-UHFFFAOYSA-N
XLogP6.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
CID 4037309
1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42715578
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylpropanamide
CID 42721977
3-(2,4-difluorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-hexylurea
CID 42721888
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylpropanamide
CID 42721878
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylhexanamide
CID 42721882
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylnonanamide
CID 4661331
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 3396625
1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-hexyl-3-(4-nitrophenyl)urea
CID 42722054
3-tert-butyl-1-[2-(dimethylamino)ethyl]-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42721934
4-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 3431671
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylpentanamide
CID 42721715

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea?
The IUPAC name of 1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea (CID 42715572) is 1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea.
What is the SMILES notation for 1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea?
The canonical SMILES for 1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea is CCCCN(C(=O)Nc1ccc(CC)cc1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea?
The InChIKey is LLGOMQYBKMDBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-4-6-20-32(29(35)30-23-18-16-22(5-2)17-19-23)21(3)27-31-26-15-11-10-14-25(26)28(34)33(27)24-12-8-7-9-13-24/h7-19,21H,4-6,20H2,1-3H3,(H,30,35).
What are the key properties of 1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea?
1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea has a molecular weight of 468.60 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea is sourced from PubChem (CID 42715572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).