ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

C19H25NO3 — CID 123322741

IUPACethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCCOC(=O)C(OC(C)(C)C)c1c(C)nc2ccccc2c1C
InChIInChI=1S/C19H25NO3/c1-7-22-18(21)17(23-19(4,5)6)16-12(2)14-10-8-9-11-15(14)20-13(16)3/h8-11,17H,7H2,1-6H3
InChIKeyPJBFXKGAVBEYDA-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.27
Rot. Bonds4

About ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 123322741) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID123322741
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Nameethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCCOC(=O)C(OC(C)(C)C)c1c(C)nc2ccccc2c1C
InChIInChI=1S/C19H25NO3/c1-7-22-18(21)17(23-19(4,5)6)16-12(2)14-10-8-9-11-15(14)20-13(16)3/h8-11,17H,7H2,1-6H3
InChIKeyPJBFXKGAVBEYDA-UHFFFAOYSA-N
XLogP4.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-iodo-2-methylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 58125437
ethyl 2-[4-fluoro-3-methyl-1-(trifluoromethylsulfonyloxy)naphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 86691560
ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 141324526
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557
ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate
CID 70813717
ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 123410601
ethyl 2-(6-butoxy-7-cyclopropylquinolin-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 121368042
ethyl 2-(4-bromo-2,5-dimethylthiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 70818352
2,4-dimethylquinoline-3-carbohydrazide
CID 3811999
ethyl 2-methyl-4-pentylquinoline-3-carboxylate
CID 45141729
ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol
CID 161201935
benzyl 5-benzyl-6-[(1S)-2-ethoxy-1-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,7-dimethyl-1,3-dihydroisoindole-2-carboxylate
CID 129203379

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (CID 123322741) is ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is CCOC(=O)C(OC(C)(C)C)c1c(C)nc2ccccc2c1C.
What is the InChIKey of ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is PJBFXKGAVBEYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-7-22-18(21)17(23-19(4,5)6)16-12(2)14-10-8-9-11-15(14)20-13(16)3/h8-11,17H,7H2,1-6H3.
What are the key properties of ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 315.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 123322741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).