Methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate

C₁₅H₁₄ClN₃O₃ — CID 156537420

About Methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate

Methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate (PubChem CID 156537420) has the molecular formula C₁₅H₁₄ClN₃O₃ and a molecular weight of 319.75 g/mol. Its IUPAC name is methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate.

Molecular Properties

• Compound Name: Methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate
• PubChem CID: 156537420
• Molecular Formula: C₁₅H₁₄ClN₃O₃
• Molecular Weight: 319.75 g/mol
• Exact Mass: 319.07
• IUPAC Name: methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate
• SMILES: COC(=O)C1(C)C(=O)N(C)c2cc3c(Cl)nc(C)nc3cc21
• InChI: InChI=1S/C15H14ClN3O3/c1-7-17-10-6-9-11(5-8(10)12(16)18-7)19(3)13(20)15(9,2)14(21)22-4/h5-6H,1-4H3
• InChIKey: VANOHCUETMNWSQ-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 72.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.75
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate?

The IUPAC name of Methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate (CID 156537420) is methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate.

What is the SMILES notation for Methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate?

The canonical SMILES for Methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate is COC(=O)C1(C)C(=O)N(C)c2cc3c(Cl)nc(C)nc3cc21.

What is the InChIKey of Methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate?

The InChIKey is VANOHCUETMNWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-7-17-10-6-9-11(5-8(10)12(16)18-7)19(3)13(20)15(9,2)14(21)22-4/h5-6H,1-4H3.

What are the key properties of Methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate?

Methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate has a molecular weight of 319.75 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 4-chloro-2,6,8-trimethyl-7-oxopyrrolo[2,3-g]quinazoline-8-carboxylate is sourced from PubChem (CID 156537420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156537420 — identifiers, structure, computed properties (public domain)

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