4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide

C41H40N8O7 — CID 148540489

IUPAC4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide
SMILESCNC(=O)c1cnc2ccc(-c3cnn(CCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)cc2c1Nc1ccccc1
InChIInChI=1S/C41H40N8O7/c1-42-38(52)30-22-44-31-15-14-25(20-29(31)37(30)46-27-10-5-4-6-11-27)26-21-45-48(23-26)19-8-3-2-7-18-43-35(51)24-56-33-13-9-12-28-36(33)41(55)49(40(28)54)32-16-17-34(50)47-39(32)53/h4-6,9-15,20-23,32H,2-3,7-8,16-19,24H2,1H3,(H,42,52)(H,43,51)(H,44,46)(H,47,50,53)
InChIKeyMSBGYDIQNJUDEJ-UHFFFAOYSA-N
MW756.82 g/mol
LogP4.36
Rot. Bonds15

About 4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide

4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide (PubChem CID 148540489) has the molecular formula C41H40N8O7 and a molecular weight of 756.82 g/mol. Its IUPAC name is 4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide
PubChem CID148540489
Molecular FormulaC41H40N8O7
Molecular Weight756.82 g/mol
Exact Mass756.30
IUPAC Name4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide
SMILESCNC(=O)c1cnc2ccc(-c3cnn(CCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)cc2c1Nc1ccccc1
InChIInChI=1S/C41H40N8O7/c1-42-38(52)30-22-44-31-15-14-25(20-29(31)37(30)46-27-10-5-4-6-11-27)26-21-45-48(23-26)19-8-3-2-7-18-43-35(51)24-56-33-13-9-12-28-36(33)41(55)49(40(28)54)32-16-17-34(50)47-39(32)53/h4-6,9-15,20-23,32H,2-3,7-8,16-19,24H2,1H3,(H,42,52)(H,43,51)(H,44,46)(H,47,50,53)
InChIKeyMSBGYDIQNJUDEJ-UHFFFAOYSA-N
XLogP4.36
TPSA193.72 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.82
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide?
The IUPAC name of 4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide (CID 148540489) is 4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide.
What is the SMILES notation for 4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide?
The canonical SMILES for 4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide is CNC(=O)c1cnc2ccc(-c3cnn(CCCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)cc2c1Nc1ccccc1.
What is the InChIKey of 4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide?
The InChIKey is MSBGYDIQNJUDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40N8O7/c1-42-38(52)30-22-44-31-15-14-25(20-29(31)37(30)46-27-10-5-4-6-11-27)26-21-45-48(23-26)19-8-3-2-7-18-43-35(51)24-56-33-13-9-12-28-36(33)41(55)49(40(28)54)32-16-17-34(50)47-39(32)53/h4-6,9-15,20-23,32H,2-3,7-8,16-19,24H2,1H3,(H,42,52)(H,43,51)(H,44,46)(H,47,50,53).
What are the key properties of 4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide?
4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide has a molecular weight of 756.82 g/mol, XLogP of 4.36, 15 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]pyrazol-4-yl]-N-methylquinoline-3-carboxamide is sourced from PubChem (CID 148540489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).