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

C26H30N2O4 — CID 58579958

IUPACethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC)c(-c2cc3ccccc3nc2CN(CC)C(=O)CC)c1
InChIInChI=1S/C26H30N2O4/c1-5-25(29)28(6-2)17-23-20(16-19-10-8-9-11-22(19)27-23)21-14-18(12-13-24(21)31-4)15-26(30)32-7-3/h8-14,16H,5-7,15,17H2,1-4H3
InChIKeyCMBHPFWUJPIMQS-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.77
Rot. Bonds9

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

ethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate (PubChem CID 58579958) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is ethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate
PubChem CID58579958
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Nameethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC)c(-c2cc3ccccc3nc2CN(CC)C(=O)CC)c1
InChIInChI=1S/C26H30N2O4/c1-5-25(29)28(6-2)17-23-20(16-19-10-8-9-11-22(19)27-23)21-14-18(12-13-24(21)31-4)15-26(30)32-7-3/h8-14,16H,5-7,15,17H2,1-4H3
InChIKeyCMBHPFWUJPIMQS-UHFFFAOYSA-N
XLogP4.77
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetic acid
CID 45255642
ethyl 2-[3-[3-[[acetyl(ethyl)amino]methyl]quinolin-2-yl]-4-methoxyphenyl]acetate
CID 58579971
ethyl 2-[3-[2-[[ethyl-(2-phenylsulfanylacetyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate
CID 58149305
ethyl 2-[3-[4-bromo-2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-4-methoxyphenyl]acetate
CID 58149020
ethyl 2-(2-methoxyquinolin-6-yl)acetate
CID 21498743
N-benzyl-N-ethyl-2-(4-methoxy-3-methylphenyl)acetamide
CID 100769618
ethyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 4803634
ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate
CID 58460068
ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8667374
[5-(2-ethoxy-2-oxoethyl)-2-methoxyphenyl]boronic acid
CID 90360455
2-[3-[2-[[ethyl-(2-phenylsulfanylacetyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148939
ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate
CID 58149135

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate?
The IUPAC name of ethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate (CID 58579958) is ethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate.
What is the SMILES notation for ethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate?
The canonical SMILES for ethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate is CCOC(=O)Cc1ccc(OC)c(-c2cc3ccccc3nc2CN(CC)C(=O)CC)c1.
What is the InChIKey of ethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate?
The InChIKey is CMBHPFWUJPIMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-5-25(29)28(6-2)17-23-20(16-19-10-8-9-11-22(19)27-23)21-14-18(12-13-24(21)31-4)15-26(30)32-7-3/h8-14,16H,5-7,15,17H2,1-4H3.
What are the key properties of ethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate?
ethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate has a molecular weight of 434.54 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-[[ethyl(propanoyl)amino]methyl]quinolin-3-yl]-4-methoxyphenyl]acetate is sourced from PubChem (CID 58579958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).