N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide

C25H24ClN3O3 — CID 139958314

About N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide

N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide (PubChem CID 139958314) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide.

Molecular Properties

• Compound Name: N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide
• PubChem CID: 139958314
• Molecular Formula: C25H24ClN3O3
• Molecular Weight: 449.94 g/mol
• Exact Mass: 449.15
• IUPAC Name: N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide
• SMILES: Cc1onc2c1c(=O)n(CC1CCCC(NC(=O)c3ccccc3)C1)c1cccc(Cl)c21
• InChI: InChI=1S/C25H24ClN3O3/c1-15-21-23(28-32-15)22-19(26)11-6-12-20(22)29(25(21)31)14-16-7-5-10-18(13-16)27-24(30)17-8-3-2-4-9-17/h2-4,6,8-9,11-12,16,18H,5,7,10,13-14H2,1H3,(H,27,30)
• InChIKey: VPHWUHUVZZMQIU-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 77.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.94
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide?

The IUPAC name of N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide (CID 139958314) is N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide.

What is the SMILES notation for N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide?

The canonical SMILES for N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide is Cc1onc2c1c(=O)n(CC1CCCC(NC(=O)c3ccccc3)C1)c1cccc(Cl)c21.

What is the InChIKey of N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide?

The InChIKey is VPHWUHUVZZMQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-15-21-23(28-32-15)22-19(26)11-6-12-20(22)29(25(21)31)14-16-7-5-10-18(13-16)27-24(30)17-8-3-2-4-9-17/h2-4,6,8-9,11-12,16,18H,5,7,10,13-14H2,1H3,(H,27,30).

What are the key properties of N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide?

N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide has a molecular weight of 449.94 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)methyl]cyclohexyl]benzamide is sourced from PubChem (CID 139958314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).