N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C24H25FN2O3 — CID 1453773

About N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 1453773) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
• PubChem CID: 1453773
• Molecular Formula: C24H25FN2O3
• Molecular Weight: 408.47 g/mol
• Exact Mass: 408.18
• IUPAC Name: N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
• SMILES: Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3F)cc2c1
• InChI: InChI=1S/C24H25FN2O3/c1-15-10-16(2)22-17(11-15)12-18(23(28)26-22)13-27(14-19-6-5-9-30-19)24(29)20-7-3-4-8-21(20)25/h3-4,7-8,10-12,19H,5-6,9,13-14H2,1-2H3,(H,26,28)/t19-/m0/s1
• InChIKey: WWDMKXNTIQNNOW-IBGZPJMESA-N
• XLogP: 4.11
• TPSA: 62.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.47
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?

The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 1453773) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?

The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide is Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3F)cc2c1.

What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?

The InChIKey is WWDMKXNTIQNNOW-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-15-10-16(2)22-17(11-15)12-18(23(28)26-22)13-27(14-19-6-5-9-30-19)24(29)20-7-3-4-8-21(20)25/h3-4,7-8,10-12,19H,5-6,9,13-14H2,1-2H3,(H,26,28)/t19-/m0/s1.

What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 408.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 1453773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).