1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea

C22H17ClN4O3 — CID 46355902

About 1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea

1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea (PubChem CID 46355902) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
• PubChem CID: 46355902
• Molecular Formula: C22H17ClN4O3
• Molecular Weight: 420.86 g/mol
• Exact Mass: 420.10
• IUPAC Name: 1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
• SMILES: O=C(Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1)Nc1ccccc1Cl
• InChI: InChI=1S/C22H17ClN4O3/c23-18-8-1-2-9-19(18)26-22(29)25-15-6-5-7-17(12-15)30-14-16-13-21(28)27-11-4-3-10-20(27)24-16/h1-13H,14H2,(H2,25,26,29)
• InChIKey: REOOEZFYGPNULY-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.86
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?

The IUPAC name of 1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea (CID 46355902) is 1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea.

What is the SMILES notation for 1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?

The canonical SMILES for 1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea is O=C(Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1)Nc1ccccc1Cl.

What is the InChIKey of 1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?

The InChIKey is REOOEZFYGPNULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c23-18-8-1-2-9-19(18)26-22(29)25-15-6-5-7-17(12-15)30-14-16-13-21(28)27-11-4-3-10-20(27)24-16/h1-13H,14H2,(H2,25,26,29).

What are the key properties of 1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea?

1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea has a molecular weight of 420.86 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea is sourced from PubChem (CID 46355902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).