8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one

C23H28N2O3 — CID 126587591

About 8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one

8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126587591) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 126587591
• Molecular Formula: C23H28N2O3
• Molecular Weight: 380.49 g/mol
• Exact Mass: 380.21
• IUPAC Name: 8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
• SMILES: CCc1cc(-c2ccc3c(c2COC2CCCC2)NC(=O)CC3)cn(C)c1=O
• InChI: InChI=1S/C23H28N2O3/c1-3-15-12-17(13-25(2)23(15)27)19-10-8-16-9-11-21(26)24-22(16)20(19)14-28-18-6-4-5-7-18/h8,10,12-13,18H,3-7,9,11,14H2,1-2H3,(H,24,26)
• InChIKey: WNZXDIMIMHYMLA-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 60.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.49
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one (CID 126587591) is 8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one is CCc1cc(-c2ccc3c(c2COC2CCCC2)NC(=O)CC3)cn(C)c1=O.

What is the InChIKey of 8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is WNZXDIMIMHYMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-15-12-17(13-25(2)23(15)27)19-10-8-16-9-11-21(26)24-22(16)20(19)14-28-18-6-4-5-7-18/h8,10,12-13,18H,3-7,9,11,14H2,1-2H3,(H,24,26).

What are the key properties of 8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one?

8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopentyloxymethyl)-7-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126587591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).