cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

C22H25NO4 — CID 6967157

About cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (PubChem CID 6967157) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.

Molecular Properties

• Compound Name: cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
• PubChem CID: 6967157
• Molecular Formula: C22H25NO4
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.18
• IUPAC Name: cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
• SMILES: CC1=NC2=C(C(=O)CCC2)[C@@H](c2cccc(O)c2)C1C(=O)OC1CCCC1
• InChI: InChI=1S/C22H25NO4/c1-13-19(22(26)27-16-8-2-3-9-16)20(14-6-4-7-15(24)12-14)21-17(23-13)10-5-11-18(21)25/h4,6-7,12,16,19-20,24H,2-3,5,8-11H2,1H3/t19?,20-/m0/s1
• InChIKey: FLBYZJCOFWEPED-ANYOKISRSA-N
• XLogP: 4.06
• TPSA: 75.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?

The IUPAC name of cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (CID 6967157) is cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.

What is the SMILES notation for cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?

The canonical SMILES for cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is CC1=NC2=C(C(=O)CCC2)[C@@H](c2cccc(O)c2)C1C(=O)OC1CCCC1.

What is the InChIKey of cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?

The InChIKey is FLBYZJCOFWEPED-ANYOKISRSA-N. The full InChI is InChI=1S/C22H25NO4/c1-13-19(22(26)27-16-8-2-3-9-16)20(14-6-4-7-15(24)12-14)21-17(23-13)10-5-11-18(21)25/h4,6-7,12,16,19-20,24H,2-3,5,8-11H2,1H3/t19?,20-/m0/s1.

What are the key properties of cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?

cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is sourced from PubChem (CID 6967157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).