cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate

C17H19NO3 — CID 75422217

IUPACcyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate
SMILESCOc1ccc2nc(C)cc(C(=O)OC3CCCC3)c2c1
InChIInChI=1S/C17H19NO3/c1-11-9-15(17(19)21-12-5-3-4-6-12)14-10-13(20-2)7-8-16(14)18-11/h7-10,12H,3-6H2,1-2H3
InChIKeyHWSOKCLYWFISFF-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.65
Rot. Bonds3

About cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate

cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate (PubChem CID 75422217) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Namecyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate
PubChem CID75422217
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namecyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate
SMILESCOc1ccc2nc(C)cc(C(=O)OC3CCCC3)c2c1
InChIInChI=1S/C17H19NO3/c1-11-9-15(17(19)21-12-5-3-4-6-12)14-10-13(20-2)7-8-16(14)18-11/h7-10,12H,3-6H2,1-2H3
InChIKeyHWSOKCLYWFISFF-UHFFFAOYSA-N
XLogP3.65
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate 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

benzyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 164676582
(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 111459532
cyclohexyl 6-methoxyquinoline-2-carboxylate
CID 24585683
methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82667452
thietan-3-yl 2-methylquinoline-4-carboxylate
CID 167776561
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 124590384
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
6-methoxy-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643635
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
[(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132382
cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 23823125
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride
CID 75469406

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate?
The IUPAC name of cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate (CID 75422217) is cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate.
What is the SMILES notation for cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate?
The canonical SMILES for cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate is COc1ccc2nc(C)cc(C(=O)OC3CCCC3)c2c1.
What is the InChIKey of cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate?
The InChIKey is HWSOKCLYWFISFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-9-15(17(19)21-12-5-3-4-6-12)14-10-13(20-2)7-8-16(14)18-11/h7-10,12H,3-6H2,1-2H3.
What are the key properties of cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate?
cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate is sourced from PubChem (CID 75422217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).