1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea

C23H20N4O2 — CID 118709278

IUPAC1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea
SMILESCc1ccc(NC(=O)Nc2cc3ncncc3cc2OCc2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-16-7-9-19(10-8-16)26-23(28)27-21-12-20-18(13-24-15-25-20)11-22(21)29-14-17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H2,26,27,28)
InChIKeyFLFBVELFDAWKNZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.16
Rot. Bonds5

About 1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea

1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea (PubChem CID 118709278) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea
PubChem CID118709278
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea
SMILESCc1ccc(NC(=O)Nc2cc3ncncc3cc2OCc2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-16-7-9-19(10-8-16)26-23(28)27-21-12-20-18(13-24-15-25-20)11-22(21)29-14-17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H2,26,27,28)
InChIKeyFLFBVELFDAWKNZ-UHFFFAOYSA-N
XLogP5.16
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea (CID 118709278) is 1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea is Cc1ccc(NC(=O)Nc2cc3ncncc3cc2OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea?
The InChIKey is FLFBVELFDAWKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-16-7-9-19(10-8-16)26-23(28)27-21-12-20-18(13-24-15-25-20)11-22(21)29-14-17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H2,26,27,28).
What are the key properties of 1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea?
1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea has a molecular weight of 384.44 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea is sourced from PubChem (CID 118709278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).