ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate

C21H27NO2 — CID 134203331

IUPACethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate
SMILESCCOC(=O)C(C)C1CCC(c2ccnc3ccc(C)cc23)CC1
InChIInChI=1S/C21H27NO2/c1-4-24-21(23)15(3)16-6-8-17(9-7-16)18-11-12-22-20-10-5-14(2)13-19(18)20/h5,10-13,15-17H,4,6-9H2,1-3H3
InChIKeyGTESOLCNZOPERD-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.02
Rot. Bonds4

About ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate

ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate (PubChem CID 134203331) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate
PubChem CID134203331
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Nameethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate
SMILESCCOC(=O)C(C)C1CCC(c2ccnc3ccc(C)cc23)CC1
InChIInChI=1S/C21H27NO2/c1-4-24-21(23)15(3)16-6-8-17(9-7-16)18-11-12-22-20-10-5-14(2)13-19(18)20/h5,10-13,15-17H,4,6-9H2,1-3H3
InChIKeyGTESOLCNZOPERD-UHFFFAOYSA-N
XLogP5.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-{3'-[6-(1-Methanesulfonyl-1-methyl-ethyl)-quinolin-8-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid
CID 10345293
(3R,3aS,4S,5R,6S,7aR)-5-ethyl-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 9886874
(3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(pyridin-3-yl)pyridin-2-yl)vinyl)-decahydronaphtho[2,3-c]furan-1(3H)-one
CID 9908345
Methyl 8-methyl-3-(4-(quinolin-3-yl)phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylate
CID 10178229
3-{3'-[6-(1-Methanesulfonyl-1-methyl-ethyl)-quinolin-8-yl]-biphenyl-3-yl}-propionic acid
CID 10367597
3-{3''-[6-(1-Methanesulfonyl-1-methyl-ethyl)-quinolin-8-yl]-biphenyl-4-yl}-propionic acid
CID 10479990
3-Ethyl-6-[(4-methoxycyclohexyl)carbonyl]quinoline
CID 11220222
3-[1-Phenyl-3-(2-phenylethyl)indol-5-yl]propanoic acid
CID 25052581
3-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanoic acid;dihydrochloride
CID 51050544
5-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]pentanoic acid;dihydrochloride
CID 51050548
6-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]hexanoic acid;dihydrochloride
CID 51050550
(3R,3aS,4S,5R,6S,7aR)-5-ethyl-4-[(E)-2-[5-(2-fluorophenyl)-2-pyridinyl]ethenyl]-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 59110450

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate?
The IUPAC name of ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate (CID 134203331) is ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate.
What is the SMILES notation for ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate?
The canonical SMILES for ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate is CCOC(=O)C(C)C1CCC(c2ccnc3ccc(C)cc23)CC1.
What is the InChIKey of ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate?
The InChIKey is GTESOLCNZOPERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-4-24-21(23)15(3)16-6-8-17(9-7-16)18-11-12-22-20-10-5-14(2)13-19(18)20/h5,10-13,15-17H,4,6-9H2,1-3H3.
What are the key properties of ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate?
ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate has a molecular weight of 325.45 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(6-methylquinolin-4-yl)cyclohexyl]propanoate is sourced from PubChem (CID 134203331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).