1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea

C24H23N5O2 — CID 155206346

IUPAC1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C24H23N5O2/c1-29(2)19-10-13-21-22(14-19)26-16-27-23(21)31-20-11-8-18(9-12-20)28-24(30)25-15-17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3,(H2,25,28,30)
InChIKeySPAZHWONHRMZOQ-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.81
Rot. Bonds6

About 1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea

1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea (PubChem CID 155206346) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea
PubChem CID155206346
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C24H23N5O2/c1-29(2)19-10-13-21-22(14-19)26-16-27-23(21)31-20-11-8-18(9-12-20)28-24(30)25-15-17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3,(H2,25,28,30)
InChIKeySPAZHWONHRMZOQ-UHFFFAOYSA-N
XLogP4.81
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea?
The IUPAC name of 1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea (CID 155206346) is 1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea?
The canonical SMILES for 1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea is CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccccc4)cc3)ncnc2c1.
What is the InChIKey of 1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea?
The InChIKey is SPAZHWONHRMZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-29(2)19-10-13-21-22(14-19)26-16-27-23(21)31-20-11-8-18(9-12-20)28-24(30)25-15-17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3,(H2,25,28,30).
What are the key properties of 1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea?
1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea has a molecular weight of 413.48 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea is sourced from PubChem (CID 155206346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).