7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide

C40H43N7O7 — CID 164865658

IUPAC7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide
SMILESCCCC(=O)NC(c1cccnc1)c1cc(C(=O)NCCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c2cccnc2c1O
InChIInChI=1S/C40H43N7O7/c1-2-11-31(48)45-34(24-12-9-18-41-23-24)28-22-27(25-14-10-21-43-35(25)36(28)50)37(51)44-20-7-5-3-4-6-19-42-29-15-8-13-26-33(29)40(54)47(39(26)53)30-16-17-32(49)46-38(30)52/h8-10,12-15,18,21-23,30,34,42,50H,2-7,11,16-17,19-20H2,1H3,(H,44,51)(H,45,48)(H,46,49,52)
InChIKeyPXEDVEPXOIWVNP-UHFFFAOYSA-N
MW733.83 g/mol
LogP4.53
Rot. Bonds16

About 7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide

7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide (PubChem CID 164865658) has the molecular formula C40H43N7O7 and a molecular weight of 733.83 g/mol. Its IUPAC name is 7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide.

Molecular Properties

Compound Name7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide
PubChem CID164865658
Molecular FormulaC40H43N7O7
Molecular Weight733.83 g/mol
Exact Mass733.32
IUPAC Name7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide
SMILESCCCC(=O)NC(c1cccnc1)c1cc(C(=O)NCCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c2cccnc2c1O
InChIInChI=1S/C40H43N7O7/c1-2-11-31(48)45-34(24-12-9-18-41-23-24)28-22-27(25-14-10-21-43-35(25)36(28)50)37(51)44-20-7-5-3-4-6-19-42-29-15-8-13-26-33(29)40(54)47(39(26)53)30-16-17-32(49)46-38(30)52/h8-10,12-15,18,21-23,30,34,42,50H,2-7,11,16-17,19-20H2,1H3,(H,44,51)(H,45,48)(H,46,49,52)
InChIKeyPXEDVEPXOIWVNP-UHFFFAOYSA-N
XLogP4.53
TPSA199.79 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500733.83
LogP ≤ 54.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide?
The IUPAC name of 7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide (CID 164865658) is 7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide.
What is the SMILES notation for 7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide?
The canonical SMILES for 7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide is CCCC(=O)NC(c1cccnc1)c1cc(C(=O)NCCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c2cccnc2c1O.
What is the InChIKey of 7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide?
The InChIKey is PXEDVEPXOIWVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43N7O7/c1-2-11-31(48)45-34(24-12-9-18-41-23-24)28-22-27(25-14-10-21-43-35(25)36(28)50)37(51)44-20-7-5-3-4-6-19-42-29-15-8-13-26-33(29)40(54)47(39(26)53)30-16-17-32(49)46-38(30)52/h8-10,12-15,18,21-23,30,34,42,50H,2-7,11,16-17,19-20H2,1H3,(H,44,51)(H,45,48)(H,46,49,52).
What are the key properties of 7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide?
7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide has a molecular weight of 733.83 g/mol, XLogP of 4.53, 16 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide is sourced from PubChem (CID 164865658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).