3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid

C18H23NO2 — CID 82448026

IUPAC3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid
SMILESCCc1cccc2c(CCC(=O)O)cc(C(C)(C)C)nc12
InChIInChI=1S/C18H23NO2/c1-5-12-7-6-8-14-13(9-10-16(20)21)11-15(18(2,3)4)19-17(12)14/h6-8,11H,5,9-10H2,1-4H3,(H,20,21)
InChIKeyCUSKGIXECMCBDG-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.11
Rot. Bonds4

About 3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid

3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid (PubChem CID 82448026) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid
PubChem CID82448026
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid
SMILESCCc1cccc2c(CCC(=O)O)cc(C(C)(C)C)nc12
InChIInChI=1S/C18H23NO2/c1-5-12-7-6-8-14-13(9-10-16(20)21)11-15(18(2,3)4)19-17(12)14/h6-8,11H,5,9-10H2,1-4H3,(H,20,21)
InChIKeyCUSKGIXECMCBDG-UHFFFAOYSA-N
XLogP4.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile
CID 82448018
2-(8-ethyl-2-methylquinolin-4-yl)acetamide
CID 82575384
3-(3-ethyl-2-methylindazol-7-yl)propanoic acid
CID 105491048
2-(8-ethyl-4-methylquinolin-2-yl)-2-methylpropan-1-amine
CID 84630399
6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid
CID 82184140
4-ethyl-2,8-bis(trifluoromethyl)quinoline
CID 88573891
3-[4-(carboxymethyl)naphthalen-1-yl]propanoic acid
CID 118899420
3-quinolin-5-ylpropanoic acid
CID 81224223
1-(8-ethyl-2-methylquinolin-4-yl)ethanone
CID 82447963
3-(2-ethyl-6-methylphenyl)propanoic acid
CID 82158159
8-ethylnaphthalene-2-carboxylic acid
CID 151555828
3-tert-butyl-2-chloro-8-ethylquinoline
CID 63382109

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid?
The IUPAC name of 3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid (CID 82448026) is 3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid?
The canonical SMILES for 3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid is CCc1cccc2c(CCC(=O)O)cc(C(C)(C)C)nc12.
What is the InChIKey of 3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid?
The InChIKey is CUSKGIXECMCBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-12-7-6-8-14-13(9-10-16(20)21)11-15(18(2,3)4)19-17(12)14/h6-8,11H,5,9-10H2,1-4H3,(H,20,21).
What are the key properties of 3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid?
3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid has a molecular weight of 285.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid is sourced from PubChem (CID 82448026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).