2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate

C24H20N2O6 — CID 166232659

IUPAC2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)OCCN2C(=O)c3ccncc3C2=O)ccc1OCc1ccccc1
InChIInChI=1S/C24H20N2O6/c1-30-21-13-17(7-8-20(21)32-15-16-5-3-2-4-6-16)24(29)31-12-11-26-22(27)18-9-10-25-14-19(18)23(26)28/h2-10,13-14H,11-12,15H2,1H3
InChIKeyZLDJQXCIAWAZAM-UHFFFAOYSA-N
MW432.43 g/mol
LogP3.12
Rot. Bonds8

About 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate

2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate (PubChem CID 166232659) has the molecular formula C24H20N2O6 and a molecular weight of 432.43 g/mol. Its IUPAC name is 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate.

Molecular Properties

Compound Name2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate
PubChem CID166232659
Molecular FormulaC24H20N2O6
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Name2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)OCCN2C(=O)c3ccncc3C2=O)ccc1OCc1ccccc1
InChIInChI=1S/C24H20N2O6/c1-30-21-13-17(7-8-20(21)32-15-16-5-3-2-4-6-16)24(29)31-12-11-26-22(27)18-9-10-25-14-19(18)23(26)28/h2-10,13-14H,11-12,15H2,1H3
InChIKeyZLDJQXCIAWAZAM-UHFFFAOYSA-N
XLogP3.12
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)ethyl 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7194690
2-(1,3-dioxoisoindol-2-yl)ethyl 3-fluoro-4-methoxybenzoate
CID 7991343
2-methylsulfanylethyl 3-methoxy-4-phenylmethoxybenzoate
CID 86977014
2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 99812861
2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 4-propan-2-ylsulfanylbenzoate
CID 166232666
2-(1,3-dioxoisoindol-2-yl)ethyl 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 2124108
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682612
prop-2-ynyl 3-methoxy-4-phenylmethoxybenzoate
CID 91681830
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
CID 91682546
(3-methoxy-4-phenylmethoxyphenyl)-(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
CID 167796784

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate?
The IUPAC name of 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate (CID 166232659) is 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate.
What is the SMILES notation for 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate?
The canonical SMILES for 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate is COc1cc(C(=O)OCCN2C(=O)c3ccncc3C2=O)ccc1OCc1ccccc1.
What is the InChIKey of 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate?
The InChIKey is ZLDJQXCIAWAZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6/c1-30-21-13-17(7-8-20(21)32-15-16-5-3-2-4-6-16)24(29)31-12-11-26-22(27)18-9-10-25-14-19(18)23(26)28/h2-10,13-14H,11-12,15H2,1H3.
What are the key properties of 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate?
2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate has a molecular weight of 432.43 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)ethyl 3-methoxy-4-phenylmethoxybenzoate is sourced from PubChem (CID 166232659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).