methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate

C25H28N4O5 — CID 67690667

About methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate

methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate (PubChem CID 67690667) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate
• PubChem CID: 67690667
• Molecular Formula: C25H28N4O5
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.21
• IUPAC Name: methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate
• SMILES: COC(=O)c1ccc(NC2CCc3cc4nc(C)n(OC(=O)C(C)(C)C)c(=O)c4c(C)c32)cn1
• InChI: InChI=1S/C25H28N4O5/c1-13-20-15(7-9-17(20)28-16-8-10-18(26-12-16)23(31)33-6)11-19-21(13)22(30)29(14(2)27-19)34-24(32)25(3,4)5/h8,10-12,17,28H,7,9H2,1-6H3
• InChIKey: QJCVPQKYROADHV-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 112.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate?

The IUPAC name of methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate (CID 67690667) is methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate.

What is the SMILES notation for methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate?

The canonical SMILES for methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate is COC(=O)c1ccc(NC2CCc3cc4nc(C)n(OC(=O)C(C)(C)C)c(=O)c4c(C)c32)cn1.

What is the InChIKey of methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate?

The InChIKey is QJCVPQKYROADHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-13-20-15(7-9-17(20)28-16-8-10-18(26-12-16)23(31)33-6)11-19-21(13)22(30)29(14(2)27-19)34-24(32)25(3,4)5/h8,10-12,17,28H,7,9H2,1-6H3.

What are the key properties of methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate?

methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate has a molecular weight of 464.52 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[[3-(2,2-dimethylpropanoyloxy)-2,5-dimethyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-6-yl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 67690667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).