ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate

C25H29N3O5 — CID 169250671

About ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate

ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 169250671) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate
• PubChem CID: 169250671
• Molecular Formula: C25H29N3O5
• Molecular Weight: 451.52 g/mol
• Exact Mass: 451.21
• IUPAC Name: ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate
• SMILES: CCOC(=O)c1c(-c2cc3ccccc3nc2N2CC(C)C(OC)C2)[nH]c(C)c(OC)c1=O
• InChI: InChI=1S/C25H29N3O5/c1-6-33-25(30)20-21(26-15(3)23(32-5)22(20)29)17-11-16-9-7-8-10-18(16)27-24(17)28-12-14(2)19(13-28)31-4/h7-11,14,19H,6,12-13H2,1-5H3,(H,26,29)
• InChIKey: GTWGBZFJUKTJGR-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 93.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.52
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?

The IUPAC name of ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate (CID 169250671) is ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate.

What is the SMILES notation for ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?

The canonical SMILES for ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(-c2cc3ccccc3nc2N2CC(C)C(OC)C2)[nH]c(C)c(OC)c1=O.

What is the InChIKey of ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?

The InChIKey is GTWGBZFJUKTJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-6-33-25(30)20-21(26-15(3)23(32-5)22(20)29)17-11-16-9-7-8-10-18(16)27-24(17)28-12-14(2)19(13-28)31-4/h7-11,14,19H,6,12-13H2,1-5H3,(H,26,29).

What are the key properties of ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate?

ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate has a molecular weight of 451.52 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-methoxy-2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 169250671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).