3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine

C71H70F2N8O8 — CID 143261917

About 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine

3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine (PubChem CID 143261917) has the molecular formula C71H70F2N8O8 and a molecular weight of 1201.38 g/mol. Its IUPAC name is 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine.

Molecular Properties

• Compound Name: 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine
• PubChem CID: 143261917
• Molecular Formula: C71H70F2N8O8
• Molecular Weight: 1201.38 g/mol
• Exact Mass: 1200.53
• IUPAC Name: 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine
• SMILES: CN1CCOCC1.O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccccc5F)cnc4c3)n(CC(=O)N3CCOCC3)c2c1.O=CCn1c(-c2ccc3ncc(-c4ccccc4F)nc3c2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
• InChI: InChI=1S/C35H33FN4O4.C31H26FN3O3.C5H11NO/c36-27-9-5-4-8-25(27)30-20-37-29-18-23(11-13-28(29)38-30)34-33(22-6-2-1-3-7-22)26-12-10-24(35(42)43)19-31(26)40(34)21-32(41)39-14-16-44-17-15-39;32-24-9-5-4-8-22(24)27-18-33-25-13-11-20(16-26(25)34-27)30-29(19-6-2-1-3-7-19)23-12-10-21(31(37)38)17-28(23)35(30)14-15-36;1-6-2-4-7-5-3-6/h4-5,8-13,18-20,22H,1-3,6-7,14-17,21H2,(H,42,43);4-5,8-13,15-19H,1-3,6-7,14H2,(H,37,38);2-5H2,1H3
• InChIKey: QFMQHJYXEKGFOM-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 195.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1201.38
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine?

The IUPAC name of 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine (CID 143261917) is 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine.

What is the SMILES notation for 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine?

The canonical SMILES for 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine is CN1CCOCC1.O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccccc5F)cnc4c3)n(CC(=O)N3CCOCC3)c2c1.O=CCn1c(-c2ccc3ncc(-c4ccccc4F)nc3c2)c(C2CCCCC2)c2ccc(C(=O)O)cc21.

What is the InChIKey of 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine?

The InChIKey is QFMQHJYXEKGFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33FN4O4.C31H26FN3O3.C5H11NO/c36-27-9-5-4-8-25(27)30-20-37-29-18-23(11-13-28(29)38-30)34-33(22-6-2-1-3-7-22)26-12-10-24(35(42)43)19-31(26)40(34)21-32(41)39-14-16-44-17-15-39;32-24-9-5-4-8-22(24)27-18-33-25-13-11-20(16-26(25)34-27)30-29(19-6-2-1-3-7-19)23-12-10-21(31(37)38)17-28(23)35(30)14-15-36;1-6-2-4-7-5-3-6/h4-5,8-13,18-20,22H,1-3,6-7,14-17,21H2,(H,42,43);4-5,8-13,15-19H,1-3,6-7,14H2,(H,37,38);2-5H2,1H3.

What are the key properties of 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine?

3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine has a molecular weight of 1201.38 g/mol, XLogP of 13.61, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-2-[2-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid;3-cyclohexyl-2-[3-(2-fluorophenyl)quinoxalin-6-yl]-1-(2-oxoethyl)indole-6-carboxylic acid;4-methylmorpholine is sourced from PubChem (CID 143261917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).