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

C21H17N5O2 — CID 4046493

IUPAC1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H17N5O2/c1-28-18-11-5-4-10-17(18)24-21(27)26-20-15-8-2-3-9-16(15)23-19(25-20)14-7-6-12-22-13-14/h2-13H,1H3,(H2,23,24,25,26,27)
InChIKeyYRAFEJSZTVWUMD-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.34
Rot. Bonds4

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

1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea (PubChem CID 4046493) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea
PubChem CID4046493
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H17N5O2/c1-28-18-11-5-4-10-17(18)24-21(27)26-20-15-8-2-3-9-16(15)23-19(25-20)14-7-6-12-22-13-14/h2-13H,1H3,(H2,23,24,25,26,27)
InChIKeyYRAFEJSZTVWUMD-UHFFFAOYSA-N
XLogP4.34
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea (CID 4046493) is 1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea is COc1ccccc1NC(=O)Nc1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea?
The InChIKey is YRAFEJSZTVWUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-28-18-11-5-4-10-17(18)24-21(27)26-20-15-8-2-3-9-16(15)23-19(25-20)14-7-6-12-22-13-14/h2-13H,1H3,(H2,23,24,25,26,27).
What are the key properties of 1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea?
1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea has a molecular weight of 371.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(2-pyridin-3-ylquinazolin-4-yl)urea is sourced from PubChem (CID 4046493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).