1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea

C33H32N4O2 — CID 42720705

IUPAC1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea
SMILESCc1ccc(C)c(-n2c(C(C)N(CCc3ccccc3)C(=O)Nc3ccccc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C33H32N4O2/c1-23-18-19-24(2)30(22-23)37-31(35-29-17-11-10-16-28(29)32(37)38)25(3)36(21-20-26-12-6-4-7-13-26)33(39)34-27-14-8-5-9-15-27/h4-19,22,25H,20-21H2,1-3H3,(H,34,39)
InChIKeyIPETZRSQBGSNRH-UHFFFAOYSA-N
MW516.65 g/mol
LogP6.84
Rot. Bonds7

About 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea

1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea (PubChem CID 42720705) has the molecular formula C33H32N4O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea
PubChem CID42720705
Molecular FormulaC33H32N4O2
Molecular Weight516.65 g/mol
Exact Mass516.25
IUPAC Name1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea
SMILESCc1ccc(C)c(-n2c(C(C)N(CCc3ccccc3)C(=O)Nc3ccccc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C33H32N4O2/c1-23-18-19-24(2)30(22-23)37-31(35-29-17-11-10-16-28(29)32(37)38)25(3)36(21-20-26-12-6-4-7-13-26)33(39)34-27-14-8-5-9-15-27/h4-19,22,25H,20-21H2,1-3H3,(H,34,39)
InChIKeyIPETZRSQBGSNRH-UHFFFAOYSA-N
XLogP6.84
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 ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-methylphenyl)-1-propylurea
CID 3540139
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)butanamide
CID 42720700
3-(2,4-difluorophenyl)-1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42720618
1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(3-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 4008835
3-tert-butyl-1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
CID 42720657
3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42720531
1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea
CID 42720578
3-(4-bromophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
CID 42719884
N-butyl-N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42720622
N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methyl-N-(2-phenylethyl)benzamide
CID 5225391
3-(4-bromophenyl)-1-(2-methoxyethyl)-1-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42723309
1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42715578

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea?
The IUPAC name of 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea (CID 42720705) is 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea.
What is the SMILES notation for 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea?
The canonical SMILES for 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea is Cc1ccc(C)c(-n2c(C(C)N(CCc3ccccc3)C(=O)Nc3ccccc3)nc3ccccc3c2=O)c1.
What is the InChIKey of 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea?
The InChIKey is IPETZRSQBGSNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O2/c1-23-18-19-24(2)30(22-23)37-31(35-29-17-11-10-16-28(29)32(37)38)25(3)36(21-20-26-12-6-4-7-13-26)33(39)34-27-14-8-5-9-15-27/h4-19,22,25H,20-21H2,1-3H3,(H,34,39).
What are the key properties of 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea?
1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea has a molecular weight of 516.65 g/mol, XLogP of 6.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-phenyl-1-(2-phenylethyl)urea is sourced from PubChem (CID 42720705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).