6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid

C15H17NO2 — CID 5133447

IUPAC6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
SMILESCCc1ccc2nc(C(C)C)cc(C(=O)O)c2c1
InChIInChI=1S/C15H17NO2/c1-4-10-5-6-13-11(7-10)12(15(17)18)8-14(16-13)9(2)3/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyBWVADFMDJVUCCP-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.62
Rot. Bonds3

About 6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid

6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid (PubChem CID 5133447) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
PubChem CID5133447
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
SMILESCCc1ccc2nc(C(C)C)cc(C(=O)O)c2c1
InChIInChI=1S/C15H17NO2/c1-4-10-5-6-13-11(7-10)12(15(17)18)8-14(16-13)9(2)3/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyBWVADFMDJVUCCP-UHFFFAOYSA-N
XLogP3.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-ethylquinoline-4-carboxylic acid
CID 82184197
6-ethylquinoline-4-carboxylic acid
CID 83527113
7-chloro-2-propan-2-ylquinoline-4-carboxylic acid
CID 60984699
2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
CID 63463304
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396
6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643398
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
5-(6-ethyl-2-propan-2-ylquinolin-4-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 82448281
6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
CID 84641479
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone
CID 82448312
6-butyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5129375

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid (CID 5133447) is 6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid is CCc1ccc2nc(C(C)C)cc(C(=O)O)c2c1.
What is the InChIKey of 6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid?
The InChIKey is BWVADFMDJVUCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-10-5-6-13-11(7-10)12(15(17)18)8-14(16-13)9(2)3/h5-9H,4H2,1-3H3,(H,17,18).
What are the key properties of 6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid?
6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 5133447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).