2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

C35H36ClN5O2 — CID 66701050

About 2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 66701050) has the molecular formula C35H36ClN5O2 and a molecular weight of 594.16 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 66701050
• Molecular Formula: C35H36ClN5O2
• Molecular Weight: 594.16 g/mol
• Exact Mass: 593.26
• IUPAC Name: 2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc6nccnc6c5)CC4)C3)cc21
• InChI: InChI=1S/C35H36ClN5O2/c1-39(34(43)27-4-2-3-5-29(27)36)32-11-9-25-7-8-26(21-28(25)32)33(42)41-19-14-35(23-41)12-17-40(18-13-35)22-24-6-10-30-31(20-24)38-16-15-37-30/h2-8,10,15-16,20-21,32H,9,11-14,17-19,22-23H2,1H3
• InChIKey: UBPKPBJPPCLCPY-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 69.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.16
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The IUPAC name of 2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 66701050) is 2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

What is the SMILES notation for 2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The canonical SMILES for 2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc6nccnc6c5)CC4)C3)cc21.

What is the InChIKey of 2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The InChIKey is UBPKPBJPPCLCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36ClN5O2/c1-39(34(43)27-4-2-3-5-29(27)36)32-11-9-25-7-8-26(21-28(25)32)33(42)41-19-14-35(23-41)12-17-40(18-13-35)22-24-6-10-30-31(20-24)38-16-15-37-30/h2-8,10,15-16,20-21,32H,9,11-14,17-19,22-23H2,1H3.

What are the key properties of 2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 594.16 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-methyl-N-[6-[8-(quinoxalin-6-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 66701050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).