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

C25H32N4O2 — CID 7301354

IUPAC1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
SMILESCCCCN(C(=O)Nc1cccc(C)c1)[C@H](C)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C25H32N4O2/c1-5-7-16-28(25(31)26-20-12-10-11-18(3)17-20)19(4)23-27-22-14-9-8-13-21(22)24(30)29(23)15-6-2/h8-14,17,19H,5-7,15-16H2,1-4H3,(H,26,31)/t19-/m1/s1
InChIKeyRWVIZXFTPVYKPJ-LJQANCHMSA-N
MW420.56 g/mol
LogP5.51
Rot. Bonds8

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

1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea (PubChem CID 7301354) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
PubChem CID7301354
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
SMILESCCCCN(C(=O)Nc1cccc(C)c1)[C@H](C)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C25H32N4O2/c1-5-7-16-28(25(31)26-20-12-10-11-18(3)17-20)19(4)23-27-22-14-9-8-13-21(22)24(30)29(23)15-6-2/h8-14,17,19H,5-7,15-16H2,1-4H3,(H,26,31)/t19-/m1/s1
InChIKeyRWVIZXFTPVYKPJ-LJQANCHMSA-N
XLogP5.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-butyl-3-(3-methylphenyl)-1-[(1R)-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-chlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42713184
3-(3-bromophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42717799
3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713300
1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-methylphenyl)-1-propylurea
CID 3540139
1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42713756
1-butyl-3-(3-fluorophenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 3958246
1-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-bromophenyl)-1-butylurea
CID 42713867
3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 5006831
3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea
CID 42712600
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea
CID 42721295
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(3-methylphenyl)urea
CID 42717545

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
The IUPAC name of 1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea (CID 7301354) is 1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea.
What is the SMILES notation for 1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
The canonical SMILES for 1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea is CCCCN(C(=O)Nc1cccc(C)c1)[C@H](C)c1nc2ccccc2c(=O)n1CCC.
What is the InChIKey of 1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
The InChIKey is RWVIZXFTPVYKPJ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-5-7-16-28(25(31)26-20-12-10-11-18(3)17-20)19(4)23-27-22-14-9-8-13-21(22)24(30)29(23)15-6-2/h8-14,17,19H,5-7,15-16H2,1-4H3,(H,26,31)/t19-/m1/s1.
What are the key properties of 1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea has a molecular weight of 420.56 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea is sourced from PubChem (CID 7301354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).