methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate

C14H15NO3 — CID 82575093

IUPACmethyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate
SMILESCOC(=O)Cc1ccc(OC)c2nccc(C)c12
InChIInChI=1S/C14H15NO3/c1-9-6-7-15-14-11(17-2)5-4-10(13(9)14)8-12(16)18-3/h4-7H,8H2,1-3H3
InChIKeyQARVTWKPFQULTN-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.27
Rot. Bonds3

About methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate

methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate (PubChem CID 82575093) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate
PubChem CID82575093
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate
SMILESCOC(=O)Cc1ccc(OC)c2nccc(C)c12
InChIInChI=1S/C14H15NO3/c1-9-6-7-15-14-11(17-2)5-4-10(13(9)14)8-12(16)18-3/h4-7H,8H2,1-3H3
InChIKeyQARVTWKPFQULTN-UHFFFAOYSA-N
XLogP2.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-5-methyl-N-propylquinolin-4-amine
CID 55045426
methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate
CID 130867118
methyl 2-(2-chloro-4-methyl-3-pyridinyl)acetate
CID 129318972
methyl 2-[2-(chloromethyl)-5-methoxy-4-methylphenyl]acetate
CID 171022993
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
methyl 2-(3-amino-2-methyl-4-pyridinyl)acetate
CID 130681269
methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate
CID 96709843
methyl 2-(5-methylisoquinolin-1-yl)acetate
CID 82575040
methyl 8-methoxy-4-methylquinoline-6-carboxylate
CID 71521814
4,5-dichloro-8-methoxyquinoline
CID 43531957
methyl 2-[2-(chloromethyl)-4,5-dimethylphenyl]acetate
CID 171020528
methyl 2-[2-(chloromethyl)-6-methoxy-3-methylphenyl]acetate
CID 171023020

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate?
The IUPAC name of methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate (CID 82575093) is methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate.
What is the SMILES notation for methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate?
The canonical SMILES for methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate is COC(=O)Cc1ccc(OC)c2nccc(C)c12.
What is the InChIKey of methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate?
The InChIKey is QARVTWKPFQULTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-6-7-15-14-11(17-2)5-4-10(13(9)14)8-12(16)18-3/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate?
methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate has a molecular weight of 245.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-methoxy-4-methylquinolin-5-yl)acetate is sourced from PubChem (CID 82575093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).