1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea

C20H15N5O — CID 10688595

IUPAC1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C20H15N5O/c26-20(22-15-8-2-1-3-9-15)25-19-16-10-4-5-11-17(16)23-18(24-19)14-7-6-12-21-13-14/h1-13H,(H2,22,23,24,25,26)
InChIKeyGDOLLVJHBJTNPM-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.34
Rot. Bonds3

About 1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea

1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea (PubChem CID 10688595) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea
PubChem CID10688595
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C20H15N5O/c26-20(22-15-8-2-1-3-9-15)25-19-16-10-4-5-11-17(16)23-18(24-19)14-7-6-12-21-13-14/h1-13H,(H2,22,23,24,25,26)
InChIKeyGDOLLVJHBJTNPM-UHFFFAOYSA-N
XLogP4.34
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea?
The IUPAC name of 1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea (CID 10688595) is 1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea.
What is the SMILES notation for 1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea?
The canonical SMILES for 1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea is O=C(Nc1ccccc1)Nc1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of 1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea?
The InChIKey is GDOLLVJHBJTNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c26-20(22-15-8-2-1-3-9-15)25-19-16-10-4-5-11-17(16)23-18(24-19)14-7-6-12-21-13-14/h1-13H,(H2,22,23,24,25,26).
What are the key properties of 1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea?
1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea has a molecular weight of 341.37 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-pyridin-3-ylquinazolin-4-yl)urea is sourced from PubChem (CID 10688595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).