3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea

C26H26N4O3 — CID 42718203

IUPAC3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
SMILESCOc1ccccc1NC(=O)N(C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C26H26N4O3/c1-17-11-5-9-15-22(17)30-24(27-20-13-7-6-12-19(20)25(30)31)18(2)29(3)26(32)28-21-14-8-10-16-23(21)33-4/h5-16,18H,1-4H3,(H,28,32)
InChIKeyUNIHSUFITAWKGK-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.93
Rot. Bonds5

About 3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea

3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea (PubChem CID 42718203) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
PubChem CID42718203
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
SMILESCOc1ccccc1NC(=O)N(C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C26H26N4O3/c1-17-11-5-9-15-22(17)30-24(27-20-13-7-6-12-19(20)25(30)31)18(2)29(3)26(32)28-21-14-8-10-16-23(21)33-4/h5-16,18H,1-4H3,(H,28,32)
InChIKeyUNIHSUFITAWKGK-UHFFFAOYSA-N
XLogP4.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
CID 42721591
1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
CID 42722210
1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea
CID 42720578
2,2-dichloro-N-methyl-N-[(1S)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide
CID 7283482
1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718248
N,3-dimethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42718190
1-butyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718557
3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42718560
1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea
CID 42720184
3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 42722811
1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 4573937
1-[1-[3-(2-bromo-3,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methoxyphenyl)urea
CID 42722133

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea?
The IUPAC name of 3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea (CID 42718203) is 3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea?
The canonical SMILES for 3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea is COc1ccccc1NC(=O)N(C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C.
What is the InChIKey of 3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea?
The InChIKey is UNIHSUFITAWKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-17-11-5-9-15-22(17)30-24(27-20-13-7-6-12-19(20)25(30)31)18(2)29(3)26(32)28-21-14-8-10-16-23(21)33-4/h5-16,18H,1-4H3,(H,28,32).
What are the key properties of 3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea?
3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea has a molecular weight of 442.52 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea is sourced from PubChem (CID 42718203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).