4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C23H23FN2O3 — CID 1077959

About 4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 1077959) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
• PubChem CID: 1077959
• Molecular Formula: C23H23FN2O3
• Molecular Weight: 394.45 g/mol
• Exact Mass: 394.17
• IUPAC Name: 4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
• SMILES: Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(F)cc3)c(=O)[nH]c2c1
• InChI: InChI=1S/C23H23FN2O3/c1-15-4-5-17-12-18(22(27)25-21(17)11-15)13-26(14-20-3-2-10-29-20)23(28)16-6-8-19(24)9-7-16/h4-9,11-12,20H,2-3,10,13-14H2,1H3,(H,25,27)/t20-/m1/s1
• InChIKey: FTGZJZAYUHORBH-HXUWFJFHSA-N
• XLogP: 3.80
• TPSA: 62.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.45
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The IUPAC name of 4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 1077959) is 4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

What is the SMILES notation for 4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The canonical SMILES for 4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(F)cc3)c(=O)[nH]c2c1.

What is the InChIKey of 4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The InChIKey is FTGZJZAYUHORBH-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-15-4-5-17-12-18(22(27)25-21(17)11-15)13-26(14-20-3-2-10-29-20)23(28)16-6-8-19(24)9-7-16/h4-9,11-12,20H,2-3,10,13-14H2,1H3,(H,25,27)/t20-/m1/s1.

What are the key properties of 4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 394.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 1077959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).