N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

C23H18Cl2N4O4 — CID 55727822

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 55727822) has the molecular formula C23H18Cl2N4O4 and a molecular weight of 485.33 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
• PubChem CID: 55727822
• Molecular Formula: C23H18Cl2N4O4
• Molecular Weight: 485.33 g/mol
• Exact Mass: 484.07
• IUPAC Name: N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
• SMILES: CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)c1=O
• InChI: InChI=1S/C23H18Cl2N4O4/c1-2-28-22(31)15-7-3-5-9-18(15)29(23(28)32)13-20(30)27-17-8-4-6-10-19(17)33-21-16(25)11-14(24)12-26-21/h3-12H,2,13H2,1H3,(H,27,30)
• InChIKey: FZPFDLSPKWVAGH-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 95.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.33
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?

The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 55727822) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?

The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)c1=O.

What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?

The InChIKey is FZPFDLSPKWVAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O4/c1-2-28-22(31)15-7-3-5-9-18(15)29(23(28)32)13-20(30)27-17-8-4-6-10-19(17)33-21-16(25)11-14(24)12-26-21/h3-12H,2,13H2,1H3,(H,27,30).

What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 485.33 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 55727822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).