methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate

C14H19NO3 — CID 117193420

IUPACmethyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate
SMILESCCC1(C(=O)OC)CCc2c(cccc2OC)N1
InChIInChI=1S/C14H19NO3/c1-4-14(13(16)18-3)9-8-10-11(15-14)6-5-7-12(10)17-2/h5-7,15H,4,8-9H2,1-3H3
InChIKeyGUOXNHKYTWPEDZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.38
Rot. Bonds3

About methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate

methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate (PubChem CID 117193420) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate
PubChem CID117193420
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate
SMILESCCC1(C(=O)OC)CCc2c(cccc2OC)N1
InChIInChI=1S/C14H19NO3/c1-4-14(13(16)18-3)9-8-10-11(15-14)6-5-7-12(10)17-2/h5-7,15H,4,8-9H2,1-3H3
InChIKeyGUOXNHKYTWPEDZ-UHFFFAOYSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193410
methyl 7-bromo-2-ethyl-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193468
2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193502
2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193393
1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea
CID 122188226
methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58467113
N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107467735
methyl 1-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxylate
CID 116929879
5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
CID 117193828
1-amino-4-methoxy-N-propyl-2,3-dihydroindene-1-carboxamide
CID 138014884
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid
CID 82159660

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate (CID 117193420) is methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate is CCC1(C(=O)OC)CCc2c(cccc2OC)N1.
What is the InChIKey of methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate?
The InChIKey is GUOXNHKYTWPEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-14(13(16)18-3)9-8-10-11(15-14)6-5-7-12(10)17-2/h5-7,15H,4,8-9H2,1-3H3.
What are the key properties of methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate?
methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate is sourced from PubChem (CID 117193420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).