N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide

C24H20N4O5 — CID 166819528

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cnc2c1
InChIInChI=1S/C24H20N4O5/c1-33-17-4-2-13-8-14(11-25-19(13)10-17)22(30)26-16-3-5-18-15(9-16)12-28(24(18)32)20-6-7-21(29)27-23(20)31/h2-5,8-11,20H,6-7,12H2,1H3,(H,26,30)(H,27,29,31)
InChIKeyZNHJWWINKUGUKI-UHFFFAOYSA-N
MW444.45 g/mol
LogP2.26
Rot. Bonds4

About N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide (PubChem CID 166819528) has the molecular formula C24H20N4O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide
PubChem CID166819528
Molecular FormulaC24H20N4O5
Molecular Weight444.45 g/mol
Exact Mass444.14
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cnc2c1
InChIInChI=1S/C24H20N4O5/c1-33-17-4-2-13-8-14(11-25-19(13)10-17)22(30)26-16-3-5-18-15(9-16)12-28(24(18)32)20-6-7-21(29)27-23(20)31/h2-5,8-11,20H,6-7,12H2,1H3,(H,26,30)(H,27,29,31)
InChIKeyZNHJWWINKUGUKI-UHFFFAOYSA-N
XLogP2.26
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide (CID 166819528) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide is COc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cnc2c1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide?
The InChIKey is ZNHJWWINKUGUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5/c1-33-17-4-2-13-8-14(11-25-19(13)10-17)22(30)26-16-3-5-18-15(9-16)12-28(24(18)32)20-6-7-21(29)27-23(20)31/h2-5,8-11,20H,6-7,12H2,1H3,(H,26,30)(H,27,29,31).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide has a molecular weight of 444.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 166819528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).