ethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C23H22Cl2N2O6 — CID 5033054

IUPACethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1C
InChIInChI=1S/C23H22Cl2N2O6/c1-5-31-23(30)19-12(3)20(27-13(19)4)17(28)9-32-18(29)10-33-22-16(25)8-15(24)14-7-6-11(2)26-21(14)22/h6-8,27H,5,9-10H2,1-4H3
InChIKeyNMLOUGSUFMLYSN-UHFFFAOYSA-N
MW493.34 g/mol
LogP4.78
Rot. Bonds8

About ethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

ethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 5033054) has the molecular formula C23H22Cl2N2O6 and a molecular weight of 493.34 g/mol. Its IUPAC name is ethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID5033054
Molecular FormulaC23H22Cl2N2O6
Molecular Weight493.34 g/mol
Exact Mass492.09
IUPAC Nameethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1C
InChIInChI=1S/C23H22Cl2N2O6/c1-5-31-23(30)19-12(3)20(27-13(19)4)17(28)9-32-18(29)10-33-22-16(25)8-15(24)14-7-6-11(2)26-21(14)22/h6-8,27H,5,9-10H2,1-4H3
InChIKeyNMLOUGSUFMLYSN-UHFFFAOYSA-N
XLogP4.78
TPSA107.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 4595999
ethyl 2,4-dimethyl-5-[2-(2-naphthalen-2-yloxyacetyl)oxyacetyl]-1H-pyrrole-3-carboxylate
CID 4008038
ethyl 5-[2-[2-(2-ethylphenoxy)acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 5158622
1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one
CID 62041878
ethyl 5-[2-(4-chloro-2-methylphenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7916284
(2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 2667497
ethyl 5-[2-(5-bromo-2-chlorobenzoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 16524579
ethyl 5-[2-(3,5-dichlorophenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7467087
ethyl 5-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 3619176
ethyl 5-[2-[3-(4-methoxyphenoxy)propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 35726512
[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2078594
ethyl 5-[2-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 3379496

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 5033054) is ethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1C.
What is the InChIKey of ethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is NMLOUGSUFMLYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O6/c1-5-31-23(30)19-12(3)20(27-13(19)4)17(28)9-32-18(29)10-33-22-16(25)8-15(24)14-7-6-11(2)26-21(14)22/h6-8,27H,5,9-10H2,1-4H3.
What are the key properties of ethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
ethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 493.34 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 5033054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).