methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate

C15H17NO3 — CID 82575172

IUPACmethyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate
SMILESCCOc1cccc2c(CC(=O)OC)cc(C)nc12
InChIInChI=1S/C15H17NO3/c1-4-19-13-7-5-6-12-11(9-14(17)18-3)8-10(2)16-15(12)13/h5-8H,4,9H2,1-3H3
InChIKeyFSZKSLKXMYNCEB-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.66
Rot. Bonds4

About methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate

methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate (PubChem CID 82575172) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate
PubChem CID82575172
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate
SMILESCCOc1cccc2c(CC(=O)OC)cc(C)nc12
InChIInChI=1S/C15H17NO3/c1-4-19-13-7-5-6-12-11(9-14(17)18-3)8-10(2)16-15(12)13/h5-8H,4,9H2,1-3H3
InChIKeyFSZKSLKXMYNCEB-UHFFFAOYSA-N
XLogP2.66
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate
CID 66487495
8-ethoxy-N-hydroxy-2-methylquinoline-4-carboxamide
CID 82574485
8-ethoxy-2-methylquinoline-4-carboxamide
CID 82574053
1-(8-ethoxy-2-methylquinolin-4-yl)ethanamine
CID 82575817
methyl 4-chloro-8-ethoxyquinoline-2-carboxylate
CID 63376560
1-(8-methoxy-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82449649
N-(2-ethoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798265
2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane
CID 145480952
methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate
CID 17228548
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
2-(8-ethyl-2-methylquinolin-4-yl)acetamide
CID 82575384
methyl 2-(2-amino-6-ethoxyphenyl)acetate
CID 84676806

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate?
The IUPAC name of methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate (CID 82575172) is methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate.
What is the SMILES notation for methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate?
The canonical SMILES for methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate is CCOc1cccc2c(CC(=O)OC)cc(C)nc12.
What is the InChIKey of methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate?
The InChIKey is FSZKSLKXMYNCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-19-13-7-5-6-12-11(9-14(17)18-3)8-10(2)16-15(12)13/h5-8H,4,9H2,1-3H3.
What are the key properties of methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate?
methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate has a molecular weight of 259.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate is sourced from PubChem (CID 82575172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).