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

C24H22N4O4 — CID 18585023

IUPAC1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea
SMILESCOc1cccc(Cn2c(NC(=O)Nc3ccccc3OC)c3ccccc3nc2=O)c1
InChIInChI=1S/C24H22N4O4/c1-31-17-9-7-8-16(14-17)15-28-22(18-10-3-4-11-19(18)26-24(28)30)27-23(29)25-20-12-5-6-13-21(20)32-2/h3-14H,15H2,1-2H3,(H2,25,27,29)
InChIKeyHWXGTAMUDXIWHA-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.11
Rot. Bonds6

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

1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea (PubChem CID 18585023) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea
PubChem CID18585023
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea
SMILESCOc1cccc(Cn2c(NC(=O)Nc3ccccc3OC)c3ccccc3nc2=O)c1
InChIInChI=1S/C24H22N4O4/c1-31-17-9-7-8-16(14-17)15-28-22(18-10-3-4-11-19(18)26-24(28)30)27-23(29)25-20-12-5-6-13-21(20)32-2/h3-14H,15H2,1-2H3,(H2,25,27,29)
InChIKeyHWXGTAMUDXIWHA-UHFFFAOYSA-N
XLogP4.11
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea (CID 18585023) is 1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea is COc1cccc(Cn2c(NC(=O)Nc3ccccc3OC)c3ccccc3nc2=O)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea?
The InChIKey is HWXGTAMUDXIWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-31-17-9-7-8-16(14-17)15-28-22(18-10-3-4-11-19(18)26-24(28)30)27-23(29)25-20-12-5-6-13-21(20)32-2/h3-14H,15H2,1-2H3,(H2,25,27,29).
What are the key properties of 1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea?
1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea has a molecular weight of 430.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea is sourced from PubChem (CID 18585023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).