1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea

C33H32N4O2 — CID 42718679

IUPAC1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1cccc(C)c1)N(Cc1ccccc1)C(=O)Nc1ccccc1C
InChIInChI=1S/C33H32N4O2/c1-4-30(36(22-25-15-6-5-7-16-25)33(39)35-28-19-10-8-14-24(28)3)31-34-29-20-11-9-18-27(29)32(38)37(31)26-17-12-13-23(2)21-26/h5-21,30H,4,22H2,1-3H3,(H,35,39)
InChIKeyLDBIOEQNGLEYTN-UHFFFAOYSA-N
MW516.65 g/mol
LogP7.19
Rot. Bonds7

About 1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea

1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea (PubChem CID 42718679) has the molecular formula C33H32N4O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea.

Molecular Properties

Compound Name1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea
PubChem CID42718679
Molecular FormulaC33H32N4O2
Molecular Weight516.65 g/mol
Exact Mass516.25
IUPAC Name1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1cccc(C)c1)N(Cc1ccccc1)C(=O)Nc1ccccc1C
InChIInChI=1S/C33H32N4O2/c1-4-30(36(22-25-15-6-5-7-16-25)33(39)35-28-19-10-8-14-24(28)3)31-34-29-20-11-9-18-27(29)32(38)37(31)26-17-12-13-23(2)21-26/h5-21,30H,4,22H2,1-3H3,(H,35,39)
InChIKeyLDBIOEQNGLEYTN-UHFFFAOYSA-N
XLogP7.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 42718685
1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea
CID 42718648
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(2-methylphenyl)urea
CID 4301001
3-(2,6-dimethylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 42718682
3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
CID 42718299
1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716190
1-benzyl-1-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-ylurea
CID 42721265
1-benzyl-1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2,3-dichlorophenyl)urea
CID 3893628
N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719081
3-(2,4-dichlorophenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
CID 42718667
N-[2-(dimethylamino)ethyl]-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42657555
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2-methoxyphenyl)-1-(2-phenylethyl)urea
CID 3917353

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea?
The IUPAC name of 1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea (CID 42718679) is 1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea.
What is the SMILES notation for 1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea?
The canonical SMILES for 1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea is CCC(c1nc2ccccc2c(=O)n1-c1cccc(C)c1)N(Cc1ccccc1)C(=O)Nc1ccccc1C.
What is the InChIKey of 1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea?
The InChIKey is LDBIOEQNGLEYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O2/c1-4-30(36(22-25-15-6-5-7-16-25)33(39)35-28-19-10-8-14-24(28)3)31-34-29-20-11-9-18-27(29)32(38)37(31)26-17-12-13-23(2)21-26/h5-21,30H,4,22H2,1-3H3,(H,35,39).
What are the key properties of 1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea?
1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea has a molecular weight of 516.65 g/mol, XLogP of 7.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea is sourced from PubChem (CID 42718679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).