methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate

C24H23N3O5 — CID 67334661

IUPACmethyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate
SMILESCOC(=O)CCC(C(N)=O)N1Cc2c(OCc3ccc4ccccc4n3)cccc2C1=O
InChIInChI=1S/C24H23N3O5/c1-31-22(28)12-11-20(23(25)29)27-13-18-17(24(27)30)6-4-8-21(18)32-14-16-10-9-15-5-2-3-7-19(15)26-16/h2-10,20H,11-14H2,1H3,(H2,25,29)
InChIKeyDPCFTWXJNIVTMH-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.58
Rot. Bonds8

About methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate

methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate (PubChem CID 67334661) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate
PubChem CID67334661
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Namemethyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate
SMILESCOC(=O)CCC(C(N)=O)N1Cc2c(OCc3ccc4ccccc4n3)cccc2C1=O
InChIInChI=1S/C24H23N3O5/c1-31-22(28)12-11-20(23(25)29)27-13-18-17(24(27)30)6-4-8-21(18)32-14-16-10-9-15-5-2-3-7-19(15)26-16/h2-10,20H,11-14H2,1H3,(H2,25,29)
InChIKeyDPCFTWXJNIVTMH-UHFFFAOYSA-N
XLogP2.58
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate 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 methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate?
The IUPAC name of methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate (CID 67334661) is methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate.
What is the SMILES notation for methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate?
The canonical SMILES for methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate is COC(=O)CCC(C(N)=O)N1Cc2c(OCc3ccc4ccccc4n3)cccc2C1=O.
What is the InChIKey of methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate?
The InChIKey is DPCFTWXJNIVTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-31-22(28)12-11-20(23(25)29)27-13-18-17(24(27)30)6-4-8-21(18)32-14-16-10-9-15-5-2-3-7-19(15)26-16/h2-10,20H,11-14H2,1H3,(H2,25,29).
What are the key properties of methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate?
methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate has a molecular weight of 433.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate is sourced from PubChem (CID 67334661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).