1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

C25H24N4O3 — CID 135417685

IUPAC1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESCOc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H24N4O3/c1-17-11-13-19(14-12-17)26-25(31)29(15-18-7-3-6-10-22(18)32-2)16-23-27-21-9-5-4-8-20(21)24(30)28-23/h3-14H,15-16H2,1-2H3,(H,26,31)(H,27,28,30)
InChIKeyWQOJTAKRWUBJBY-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.47
Rot. Bonds6

About 1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (PubChem CID 135417685) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
PubChem CID135417685
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESCOc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H24N4O3/c1-17-11-13-19(14-12-17)26-25(31)29(15-18-7-3-6-10-22(18)32-2)16-23-27-21-9-5-4-8-20(21)24(30)28-23/h3-14H,15-16H2,1-2H3,(H,26,31)(H,27,28,30)
InChIKeyWQOJTAKRWUBJBY-UHFFFAOYSA-N
XLogP4.47
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (CID 135417685) is 1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is COc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The InChIKey is WQOJTAKRWUBJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-17-11-13-19(14-12-17)26-25(31)29(15-18-7-3-6-10-22(18)32-2)16-23-27-21-9-5-4-8-20(21)24(30)28-23/h3-14H,15-16H2,1-2H3,(H,26,31)(H,27,28,30).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea has a molecular weight of 428.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is sourced from PubChem (CID 135417685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).