1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea

C29H32N4O2 — CID 42716190

IUPAC1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
SMILESCCCCN(C(=O)Nc1ccccc1C)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C29H32N4O2/c1-4-6-20-32(29(35)31-24-18-12-10-14-21(24)3)26(5-2)27-30-25-19-13-11-17-23(25)28(34)33(27)22-15-8-7-9-16-22/h7-19,26H,4-6,20H2,1-3H3,(H,31,35)
InChIKeyCFNCHIBNROKMBT-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.48
Rot. Bonds8

About 1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea

1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea (PubChem CID 42716190) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea.

Molecular Properties

Compound Name1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
PubChem CID42716190
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
SMILESCCCCN(C(=O)Nc1ccccc1C)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C29H32N4O2/c1-4-6-20-32(29(35)31-24-18-12-10-14-21(24)3)26(5-2)27-30-25-19-13-11-17-23(25)28(34)33(27)22-15-8-7-9-16-22/h7-19,26H,4-6,20H2,1-3H3,(H,31,35)
InChIKeyCFNCHIBNROKMBT-UHFFFAOYSA-N
XLogP6.48
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 ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824
N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716311
3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 42718685
1-butyl-1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)urea
CID 4007420
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(2-methylphenyl)urea
CID 4301001
1-butyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718557
3-(2-bromophenyl)-1-butyl-1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 5131817
3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea
CID 42716184
1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42718679
1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea
CID 42718648
1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 4573937
1-butyl-3-tert-butyl-1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42716709

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea?
The IUPAC name of 1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea (CID 42716190) is 1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea.
What is the SMILES notation for 1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea?
The canonical SMILES for 1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea is CCCCN(C(=O)Nc1ccccc1C)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea?
The InChIKey is CFNCHIBNROKMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-4-6-20-32(29(35)31-24-18-12-10-14-21(24)3)26(5-2)27-30-25-19-13-11-17-23(25)28(34)33(27)22-15-8-7-9-16-22/h7-19,26H,4-6,20H2,1-3H3,(H,31,35).
What are the key properties of 1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea?
1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea has a molecular weight of 468.60 g/mol, XLogP of 6.48, 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-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea is sourced from PubChem (CID 42716190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).