2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid

C13H17NO3 — CID 117193502

IUPAC2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid
SMILESCCC1(C(=O)O)CCc2cccc(OC)c2N1
InChIInChI=1S/C13H17NO3/c1-3-13(12(15)16)8-7-9-5-4-6-10(17-2)11(9)14-13/h4-6,14H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyFWXVCYLTLXIAEZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.29
Rot. Bonds3

About 2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid

2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid (PubChem CID 117193502) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid
PubChem CID117193502
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid
SMILESCCC1(C(=O)O)CCc2cccc(OC)c2N1
InChIInChI=1S/C13H17NO3/c1-3-13(12(15)16)8-7-9-5-4-6-10(17-2)11(9)14-13/h4-6,14H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyFWXVCYLTLXIAEZ-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193420
7-methoxy-2,2-dimethyl-1,3-dihydroindole
CID 84717961
methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate
CID 117193382
5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 21350616
1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 18518702
(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
CID 115813399
(2R)-2-(7-methoxy-1-phenyl-2,3-dihydroinden-1-yl)butanoic acid
CID 176908723
(3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 96616866
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 83080487
8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057450
8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline
CID 83883204

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid?
The IUPAC name of 2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid (CID 117193502) is 2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid is CCC1(C(=O)O)CCc2cccc(OC)c2N1.
What is the InChIKey of 2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid?
The InChIKey is FWXVCYLTLXIAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-13(12(15)16)8-7-9-5-4-6-10(17-2)11(9)14-13/h4-6,14H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid?
2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 117193502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).