ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate

C54H49ClN12O11 — CID 159399293

About ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate

ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate (PubChem CID 159399293) has the molecular formula C54H49ClN12O11 and a molecular weight of 1077.51 g/mol. Its IUPAC name is ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate
• PubChem CID: 159399293
• Molecular Formula: C54H49ClN12O11
• Molecular Weight: 1077.51 g/mol
• Exact Mass: 1076.33
• IUPAC Name: ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate
• SMILES: CCOC(=O)c1ccn2c1CCc1cnc(OC)nc1-2.CCOC(=O)c1ccn2c1ccc1cnc(=O)[nH]c12.CCOC(=O)c1ccn2c1ccc1cnc(Cl)nc12.CCOC(=O)c1ccn2c1ccc1cnc(OC)nc12
• InChI: InChI=1S/C14H15N3O3.C14H13N3O3.C13H10ClN3O2.C13H11N3O3/c2*1-3-20-13(18)10-6-7-17-11(10)5-4-9-8-15-14(19-2)16-12(9)17;1-2-19-12(18)9-5-6-17-10(9)4-3-8-7-15-13(14)16-11(8)17;1-2-19-12(17)9-5-6-16-10(9)4-3-8-7-14-13(18)15-11(8)16/h6-8H,3-5H2,1-2H3;4-8H,3H2,1-2H3;3-7H,2H2,1H3;3-7H,2H2,1H3,(H,14,15,18)
• InChIKey: LNDCXWIDMQDOEZ-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 264.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1077.51
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate?

The IUPAC name of ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate (CID 159399293) is ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate.

What is the SMILES notation for ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate?

The canonical SMILES for ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate is CCOC(=O)c1ccn2c1CCc1cnc(OC)nc1-2.CCOC(=O)c1ccn2c1ccc1cnc(=O)[nH]c12.CCOC(=O)c1ccn2c1ccc1cnc(Cl)nc12.CCOC(=O)c1ccn2c1ccc1cnc(OC)nc12.

What is the InChIKey of ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate?

The InChIKey is LNDCXWIDMQDOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3.C14H13N3O3.C13H10ClN3O2.C13H11N3O3/c2*1-3-20-13(18)10-6-7-17-11(10)5-4-9-8-15-14(19-2)16-12(9)17;1-2-19-12(18)9-5-6-17-10(9)4-3-8-7-15-13(14)16-11(8)17;1-2-19-12(17)9-5-6-16-10(9)4-3-8-7-14-13(18)15-11(8)16/h6-8H,3-5H2,1-2H3;4-8H,3H2,1-2H3;3-7H,2H2,1H3;3-7H,2H2,1H3,(H,14,15,18).

What are the key properties of ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate?

ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate has a molecular weight of 1077.51 g/mol, XLogP of 7.68, 10 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-chloropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxy-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-methoxypyrimido[4,5-e]indolizine-7-carboxylate;ethyl 2-oxo-1H-pyrimido[4,5-e]indolizine-7-carboxylate is sourced from PubChem (CID 159399293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).