N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide

C30H33N5O6 — CID 146299603

About N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide

N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide (PubChem CID 146299603) has the molecular formula C30H33N5O6 and a molecular weight of 559.62 g/mol. Its IUPAC name is N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide
• PubChem CID: 146299603
• Molecular Formula: C30H33N5O6
• Molecular Weight: 559.62 g/mol
• Exact Mass: 559.24
• IUPAC Name: N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide
• SMILES: CCOc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(CCNC(=O)c3nocc3O)c(=O)n1CC2
• InChI: InChI=1S/C30H33N5O6/c1-6-40-25-13-20-7-9-34-22(21(20)14-24(25)39-5)15-26(32-27-18(3)11-17(2)12-19(27)4)35(30(34)38)10-8-31-29(37)28-23(36)16-41-33-28/h11-16,36H,6-10H2,1-5H3,(H,31,37)/b32-26+
• InChIKey: OMRWDUXUNKSYNR-HMZBKAONSA-N
• XLogP: 3.56
• TPSA: 133.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.62
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide (CID 146299603) is N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide is CCOc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(CCNC(=O)c3nocc3O)c(=O)n1CC2.

What is the InChIKey of N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide?

The InChIKey is OMRWDUXUNKSYNR-HMZBKAONSA-N. The full InChI is InChI=1S/C30H33N5O6/c1-6-40-25-13-20-7-9-34-22(21(20)14-24(25)39-5)15-26(32-27-18(3)11-17(2)12-19(27)4)35(30(34)38)10-8-31-29(37)28-23(36)16-41-33-28/h11-16,36H,6-10H2,1-5H3,(H,31,37)/b32-26+.

What are the key properties of N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide?

N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide has a molecular weight of 559.62 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[9-ethoxy-10-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethyl]-4-hydroxy-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146299603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).