[(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C32H31NO7 — CID 99736393

About [(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

[(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 99736393) has the molecular formula C32H31NO7 and a molecular weight of 541.60 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

• Compound Name: [(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• PubChem CID: 99736393
• Molecular Formula: C32H31NO7
• Molecular Weight: 541.60 g/mol
• Exact Mass: 541.21
• IUPAC Name: [(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• SMILES: COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@H]1CCCO1)[C@@H]2c1coc2ccccc2c1=O
• InChI: InChI=1S/C32H31NO7/c1-18-28(32(36)40-16-20-8-7-13-38-20)29(23-17-39-27-12-6-4-10-22(27)31(23)35)30-24(33-18)14-19(15-25(30)34)21-9-3-5-11-26(21)37-2/h3-6,9-12,17,19-20,29,33H,7-8,13-16H2,1-2H3/t19-,20+,29-/m0/s1
• InChIKey: RVYAGXBJOFFMNY-LNIFMVABSA-N
• XLogP: 4.89
• TPSA: 104.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.60
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The IUPAC name of [(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 99736393) is [(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

What is the SMILES notation for [(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The canonical SMILES for [(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@H]1CCCO1)[C@@H]2c1coc2ccccc2c1=O.

What is the InChIKey of [(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

The InChIKey is RVYAGXBJOFFMNY-LNIFMVABSA-N. The full InChI is InChI=1S/C32H31NO7/c1-18-28(32(36)40-16-20-8-7-13-38-20)29(23-17-39-27-12-6-4-10-22(27)31(23)35)30-24(33-18)14-19(15-25(30)34)21-9-3-5-11-26(21)37-2/h3-6,9-12,17,19-20,29,33H,7-8,13-16H2,1-2H3/t19-,20+,29-/m0/s1.

What are the key properties of [(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?

[(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 541.60 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-oxolan-2-yl]methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 99736393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).