2-cyclopentyl-8-ethylquinoline-4-carboxylic acid

C17H19NO2 — CID 4985765

IUPAC2-cyclopentyl-8-ethylquinoline-4-carboxylic acid
SMILESCCc1cccc2c(C(=O)O)cc(C3CCCC3)nc12
InChIInChI=1S/C17H19NO2/c1-2-11-8-5-9-13-14(17(19)20)10-15(18-16(11)13)12-6-3-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H,19,20)
InChIKeyNVMFPJIEHPGSQJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.15
Rot. Bonds3

About 2-cyclopentyl-8-ethylquinoline-4-carboxylic acid

2-cyclopentyl-8-ethylquinoline-4-carboxylic acid (PubChem CID 4985765) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-cyclopentyl-8-ethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-8-ethylquinoline-4-carboxylic acid
PubChem CID4985765
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-cyclopentyl-8-ethylquinoline-4-carboxylic acid
SMILESCCc1cccc2c(C(=O)O)cc(C3CCCC3)nc12
InChIInChI=1S/C17H19NO2/c1-2-11-8-5-9-13-14(17(19)20)10-15(18-16(11)13)12-6-3-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H,19,20)
InChIKeyNVMFPJIEHPGSQJ-UHFFFAOYSA-N
XLogP4.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-8-fluoroquinoline-4-carboxylic acid
CID 3872421
8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3497409
8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 3910389
methyl 2,8-dicyclopentylquinoline-4-carboxylate
CID 3012207
8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 3928035
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid
CID 71039932
6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643398
7-bromo-2-cyclohexylquinoline-4-carboxylic acid
CID 43805508
2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid
CID 4234786
2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84635932
8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid
CID 82184119

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-8-ethylquinoline-4-carboxylic acid?
The IUPAC name of 2-cyclopentyl-8-ethylquinoline-4-carboxylic acid (CID 4985765) is 2-cyclopentyl-8-ethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-8-ethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-8-ethylquinoline-4-carboxylic acid is CCc1cccc2c(C(=O)O)cc(C3CCCC3)nc12.
What is the InChIKey of 2-cyclopentyl-8-ethylquinoline-4-carboxylic acid?
The InChIKey is NVMFPJIEHPGSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-11-8-5-9-13-14(17(19)20)10-15(18-16(11)13)12-6-3-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H,19,20).
What are the key properties of 2-cyclopentyl-8-ethylquinoline-4-carboxylic acid?
2-cyclopentyl-8-ethylquinoline-4-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-8-ethylquinoline-4-carboxylic acid is sourced from PubChem (CID 4985765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).