1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea

C25H23N5O2 — CID 155206584

IUPAC1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(Oc2ncnc3cc(N4CCCC4)ccc23)cc1
InChIInChI=1S/C25H23N5O2/c31-25(28-18-6-2-1-3-7-18)29-19-8-11-21(12-9-19)32-24-22-13-10-20(30-14-4-5-15-30)16-23(22)26-17-27-24/h1-3,6-13,16-17H,4-5,14-15H2,(H2,28,29,31)
InChIKeyMITAMLFAXYXDFF-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.67
Rot. Bonds5

About 1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea

1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea (PubChem CID 155206584) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea
PubChem CID155206584
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(Oc2ncnc3cc(N4CCCC4)ccc23)cc1
InChIInChI=1S/C25H23N5O2/c31-25(28-18-6-2-1-3-7-18)29-19-8-11-21(12-9-19)32-24-22-13-10-20(30-14-4-5-15-30)16-23(22)26-17-27-24/h1-3,6-13,16-17H,4-5,14-15H2,(H2,28,29,31)
InChIKeyMITAMLFAXYXDFF-UHFFFAOYSA-N
XLogP5.67
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea (CID 155206584) is 1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea is O=C(Nc1ccccc1)Nc1ccc(Oc2ncnc3cc(N4CCCC4)ccc23)cc1.
What is the InChIKey of 1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea?
The InChIKey is MITAMLFAXYXDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-25(28-18-6-2-1-3-7-18)29-19-8-11-21(12-9-19)32-24-22-13-10-20(30-14-4-5-15-30)16-23(22)26-17-27-24/h1-3,6-13,16-17H,4-5,14-15H2,(H2,28,29,31).
What are the key properties of 1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea?
1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea has a molecular weight of 425.49 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 155206584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).