ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate

C25H28N2O4 — CID 58579971

IUPACethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC)c(-c2nc3ccccc3cc2CN(CC)C(C)=O)c1
InChIInChI=1S/C25H28N2O4/c1-5-27(17(3)28)16-20-15-19-9-7-8-10-22(19)26-25(20)21-13-18(11-12-23(21)30-4)14-24(29)31-6-2/h7-13,15H,5-6,14,16H2,1-4H3
InChIKeyODVZFROFTSFIMA-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.38
Rot. Bonds8

About ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate

ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate (PubChem CID 58579971) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate
PubChem CID58579971
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Nameethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC)c(-c2nc3ccccc3cc2CN(CC)C(C)=O)c1
InChIInChI=1S/C25H28N2O4/c1-5-27(17(3)28)16-20-15-19-9-7-8-10-22(19)26-25(20)21-13-18(11-12-23(21)30-4)14-24(29)31-6-2/h7-13,15H,5-6,14,16H2,1-4H3
InChIKeyODVZFROFTSFIMA-UHFFFAOYSA-N
XLogP4.38
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate?
The IUPAC name of ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate (CID 58579971) is ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate.
What is the SMILES notation for ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate?
The canonical SMILES for ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate is CCOC(=O)Cc1ccc(OC)c(-c2nc3ccccc3cc2CN(CC)C(C)=O)c1.
What is the InChIKey of ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate?
The InChIKey is ODVZFROFTSFIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-5-27(17(3)28)16-20-15-19-9-7-8-10-22(19)26-25(20)21-13-18(11-12-23(21)30-4)14-24(29)31-6-2/h7-13,15H,5-6,14,16H2,1-4H3.
What are the key properties of ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate?
ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate has a molecular weight of 420.51 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate is sourced from PubChem (CID 58579971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).