1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea

C23H19ClN4O3 — CID 46356697

About 1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea

1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea (PubChem CID 46356697) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea.

Molecular Properties

• Compound Name: 1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea
• PubChem CID: 46356697
• Molecular Formula: C23H19ClN4O3
• Molecular Weight: 434.88 g/mol
• Exact Mass: 434.11
• IUPAC Name: 1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea
• SMILES: Cc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1
• InChI: InChI=1S/C23H19ClN4O3/c1-15-6-2-3-7-18(15)26-23(30)27-19-8-4-5-9-20(19)31-14-17-12-22(29)28-13-16(24)10-11-21(28)25-17/h2-13H,14H2,1H3,(H2,26,27,30)
• InChIKey: WXQYGFVSJVZQKL-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.88
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea?

The IUPAC name of 1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea (CID 46356697) is 1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea.

What is the SMILES notation for 1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea?

The canonical SMILES for 1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1.

What is the InChIKey of 1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea?

The InChIKey is WXQYGFVSJVZQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-15-6-2-3-7-18(15)26-23(30)27-19-8-4-5-9-20(19)31-14-17-12-22(29)28-13-16(24)10-11-21(28)25-17/h2-13H,14H2,1H3,(H2,26,27,30).

What are the key properties of 1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea?

1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea has a molecular weight of 434.88 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 46356697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).