N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide

C33H37N3O6 — CID 58362931

About N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide

N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide (PubChem CID 58362931) has the molecular formula C33H37N3O6 and a molecular weight of 571.67 g/mol. Its IUPAC name is N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide
• PubChem CID: 58362931
• Molecular Formula: C33H37N3O6
• Molecular Weight: 571.67 g/mol
• Exact Mass: 571.27
• IUPAC Name: N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide
• SMILES: CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)[C@]2(C(=O)CNC(=O)c2ccc3nccnc3c2)O1
• InChI: InChI=1S/C33H37N3O6/c1-30(2)41-27-15-22-21-7-6-19-14-20(37)9-10-31(19,3)28(21)25(38)16-32(22,4)33(27,42-30)26(39)17-36-29(40)18-5-8-23-24(13-18)35-12-11-34-23/h5,8-14,21-22,25,27-28,38H,6-7,15-17H2,1-4H3,(H,36,40)/t21?,22?,25?,27-,28?,31?,32?,33-/m1/s1
• InChIKey: GUWRHJGZILSFIJ-ZEACXZOGSA-N
• XLogP: 3.71
• TPSA: 127.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.67
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide?

The IUPAC name of N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide (CID 58362931) is N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide.

What is the SMILES notation for N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide?

The canonical SMILES for N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide is CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)[C@]2(C(=O)CNC(=O)c2ccc3nccnc3c2)O1.

What is the InChIKey of N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide?

The InChIKey is GUWRHJGZILSFIJ-ZEACXZOGSA-N. The full InChI is InChI=1S/C33H37N3O6/c1-30(2)41-27-15-22-21-7-6-19-14-20(37)9-10-31(19,3)28(21)25(38)16-32(22,4)33(27,42-30)26(39)17-36-29(40)18-5-8-23-24(13-18)35-12-11-34-23/h5,8-14,21-22,25,27-28,38H,6-7,15-17H2,1-4H3,(H,36,40)/t21?,22?,25?,27-,28?,31?,32?,33-/m1/s1.

What are the key properties of N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide?

N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide has a molecular weight of 571.67 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4R,8S,11S)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 58362931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).