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

C23H22N6O2 — CID 155206347

IUPAC1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4cccnc4)cc3)ncnc2c1
InChIInChI=1S/C23H22N6O2/c1-29(2)18-7-10-20-21(12-18)26-15-27-22(20)31-19-8-5-17(6-9-19)28-23(30)25-14-16-4-3-11-24-13-16/h3-13,15H,14H2,1-2H3,(H2,25,28,30)
InChIKeyYZAMADOXVUSMOR-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.20
Rot. Bonds6

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

1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 155206347) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID155206347
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4cccnc4)cc3)ncnc2c1
InChIInChI=1S/C23H22N6O2/c1-29(2)18-7-10-20-21(12-18)26-15-27-22(20)31-19-8-5-17(6-9-19)28-23(30)25-14-16-4-3-11-24-13-16/h3-13,15H,14H2,1-2H3,(H2,25,28,30)
InChIKeyYZAMADOXVUSMOR-UHFFFAOYSA-N
XLogP4.20
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea (CID 155206347) is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea is CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4cccnc4)cc3)ncnc2c1.
What is the InChIKey of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is YZAMADOXVUSMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-29(2)18-7-10-20-21(12-18)26-15-27-22(20)31-19-8-5-17(6-9-19)28-23(30)25-14-16-4-3-11-24-13-16/h3-13,15H,14H2,1-2H3,(H2,25,28,30).
What are the key properties of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea?
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 414.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 155206347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).