methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate

C19H16Cl2N4O3 — CID 162750132

About methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate

methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate (PubChem CID 162750132) has the molecular formula C19H16Cl2N4O3 and a molecular weight of 419.27 g/mol. Its IUPAC name is methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate
• PubChem CID: 162750132
• Molecular Formula: C19H16Cl2N4O3
• Molecular Weight: 419.27 g/mol
• Exact Mass: 418.06
• IUPAC Name: methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate
• SMILES: COC(=O)C[C@@H]1C(=O)CCN1c1cc(-n2ccnc2)c2ccc(Cl)c(Cl)c2n1
• InChI: InChI=1S/C19H16Cl2N4O3/c1-28-17(27)9-14-15(26)4-6-25(14)16-8-13(24-7-5-22-10-24)11-2-3-12(20)18(21)19(11)23-16/h2-3,5,7-8,10,14H,4,6,9H2,1H3/t14-/m1/s1
• InChIKey: MHNKLLOCJDFQGJ-CQSZACIVSA-N
• XLogP: 3.44
• TPSA: 77.32 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.27
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate?

The IUPAC name of methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate (CID 162750132) is methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate.

What is the SMILES notation for methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate?

The canonical SMILES for methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate is COC(=O)C[C@@H]1C(=O)CCN1c1cc(-n2ccnc2)c2ccc(Cl)c(Cl)c2n1.

What is the InChIKey of methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate?

The InChIKey is MHNKLLOCJDFQGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3/c1-28-17(27)9-14-15(26)4-6-25(14)16-8-13(24-7-5-22-10-24)11-2-3-12(20)18(21)19(11)23-16/h2-3,5,7-8,10,14H,4,6,9H2,1H3/t14-/m1/s1.

What are the key properties of methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate?

methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate has a molecular weight of 419.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(2R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-oxopyrrolidin-2-yl]acetate is sourced from PubChem (CID 162750132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).