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

C27H24ClN3O4 — CID 154483572

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

N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 154483572) has the molecular formula C27H24ClN3O4 and a molecular weight of 489.96 g/mol. Its IUPAC name is N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-3-oxo-1,2-dihydroindene-1-carboxamide
• PubChem CID: 154483572
• Molecular Formula: C27H24ClN3O4
• Molecular Weight: 489.96 g/mol
• Exact Mass: 489.15
• IUPAC Name: N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-3-oxo-1,2-dihydroindene-1-carboxamide
• SMILES: Cc1onc2c1c(=O)n(C1CCCC(NC(=O)C3CC(=O)c4ccccc43)C1)c1cccc(Cl)c21
• InChI: InChI=1S/C27H24ClN3O4/c1-14-23-25(30-35-14)24-20(28)10-5-11-21(24)31(27(23)34)16-7-4-6-15(12-16)29-26(33)19-13-22(32)18-9-3-2-8-17(18)19/h2-3,5,8-11,15-16,19H,4,6-7,12-13H2,1H3,(H,29,33)
• InChIKey: BINWPCLXPKHOAD-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 94.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.96
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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)cyclohexyl]-3-oxo-1,2-dihydroindene-1-carboxamide?

The IUPAC name of N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-3-oxo-1,2-dihydroindene-1-carboxamide (CID 154483572) is N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-3-oxo-1,2-dihydroindene-1-carboxamide.

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

The canonical SMILES for N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-3-oxo-1,2-dihydroindene-1-carboxamide is Cc1onc2c1c(=O)n(C1CCCC(NC(=O)C3CC(=O)c4ccccc43)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)cyclohexyl]-3-oxo-1,2-dihydroindene-1-carboxamide?

The InChIKey is BINWPCLXPKHOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O4/c1-14-23-25(30-35-14)24-20(28)10-5-11-21(24)31(27(23)34)16-7-4-6-15(12-16)29-26(33)19-13-22(32)18-9-3-2-8-17(18)19/h2-3,5,8-11,15-16,19H,4,6-7,12-13H2,1H3,(H,29,33).

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

N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 489.96 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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)cyclohexyl]-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 154483572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).