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

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Launch Full Analysis

Related Compounds

methyl (4S)-5-amino-4-[7-[[3-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 67334737
methyl 5-amino-4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 67332612
methyl 5-amino-5-oxo-4-[3-oxo-7-[[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methoxy]-1H-isoindol-2-yl]pentanoate
CID 67334099
methyl 5-amino-4-[7-[[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 67334668
methyl 5-amino-4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 67334494
methyl 5-amino-4-[7-[[3-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 67334124
methyl 5-amino-4-[7-[[6-(diethylaminomethyl)-1-benzothiophen-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 67333740
tert-butyl (4S)-5-amino-4-[7-[[6-(hydroxymethyl)-3-pyridinyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 135278154
potassium;4-[7-[[4-(bromomethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;methyl 5-amino-4-[7-[[4-(bromomethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate;2-methylpropan-2-ol
CID 159080175
tert-butyl 5-amino-4-[7-[(Z)-2,5-dimethylidenehept-3-enoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 153367630
methyl 5-amino-4-[6-(tert-butylsulfanylmethyl)-7-methoxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 144571622
methyl 5-amino-5-oxo-4-(3-oxo-6-phenyl-1H-isoindol-2-yl)pentanoate
CID 170631434

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).