2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide

C24H18N4O5 — CID 3283735

About 2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide

2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide (PubChem CID 3283735) has the molecular formula C24H18N4O5 and a molecular weight of 442.43 g/mol. Its IUPAC name is 2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
• PubChem CID: 3283735
• Molecular Formula: C24H18N4O5
• Molecular Weight: 442.43 g/mol
• Exact Mass: 442.13
• IUPAC Name: 2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
• SMILES: Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(OCC(N)=O)cc1)N(c1ncccn1)C3=O
• InChI: InChI=1S/C24H18N4O5/c1-13-3-8-17-16(11-13)21(30)19-20(14-4-6-15(7-5-14)32-12-18(25)29)28(23(31)22(19)33-17)24-26-9-2-10-27-24/h2-11,20H,12H2,1H3,(H2,25,29)
• InChIKey: DDNYGQBWUDJVIO-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 128.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.43
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide?

The IUPAC name of 2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide (CID 3283735) is 2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide.

What is the SMILES notation for 2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide?

The canonical SMILES for 2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(OCC(N)=O)cc1)N(c1ncccn1)C3=O.

What is the InChIKey of 2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide?

The InChIKey is DDNYGQBWUDJVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O5/c1-13-3-8-17-16(11-13)21(30)19-20(14-4-6-15(7-5-14)32-12-18(25)29)28(23(31)22(19)33-17)24-26-9-2-10-27-24/h2-11,20H,12H2,1H3,(H2,25,29).

What are the key properties of 2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide?

2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide has a molecular weight of 442.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 3283735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).