1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea

C26H34N4O2 — CID 42713309

IUPAC1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
SMILESCCCCN(C(=O)Nc1c(C)cccc1C)C(C)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C26H34N4O2/c1-6-8-17-29(26(32)28-23-18(3)12-11-13-19(23)4)20(5)24-27-22-15-10-9-14-21(22)25(31)30(24)16-7-2/h9-15,20H,6-8,16-17H2,1-5H3,(H,28,32)
InChIKeyQTOIVUJVWRUEGV-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.82
Rot. Bonds8

About 1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea

1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea (PubChem CID 42713309) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
PubChem CID42713309
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
SMILESCCCCN(C(=O)Nc1c(C)cccc1C)C(C)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C26H34N4O2/c1-6-8-17-29(26(32)28-23-18(3)12-11-13-19(23)4)20(5)24-27-22-15-10-9-14-21(22)25(31)30(24)16-7-2/h9-15,20H,6-8,16-17H2,1-5H3,(H,28,32)
InChIKeyQTOIVUJVWRUEGV-UHFFFAOYSA-N
XLogP5.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea with MolForge

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Related Compounds

1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 7301354
3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713300
1-butyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718557
3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 5006831
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea
CID 42713179
1-butyl-3-(3-chlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42713184
3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42718560
1-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-bromophenyl)-1-butylurea
CID 42713867
1-butyl-1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)urea
CID 4007420
2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide
CID 42713483
3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
CID 42713772
1-butyl-3-(3-fluorophenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 3958246

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
The IUPAC name of 1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea (CID 42713309) is 1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea.
What is the SMILES notation for 1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
The canonical SMILES for 1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea is CCCCN(C(=O)Nc1c(C)cccc1C)C(C)c1nc2ccccc2c(=O)n1CCC.
What is the InChIKey of 1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
The InChIKey is QTOIVUJVWRUEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-6-8-17-29(26(32)28-23-18(3)12-11-13-19(23)4)20(5)24-27-22-15-10-9-14-21(22)25(31)30(24)16-7-2/h9-15,20H,6-8,16-17H2,1-5H3,(H,28,32).
What are the key properties of 1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea has a molecular weight of 434.58 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea is sourced from PubChem (CID 42713309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).