cyclohexyl 6-methoxyquinoline-2-carboxylate

C17H19NO3 — CID 24585683

IUPACcyclohexyl 6-methoxyquinoline-2-carboxylate
SMILESCOc1ccc2nc(C(=O)OC3CCCCC3)ccc2c1
InChIInChI=1S/C17H19NO3/c1-20-14-8-10-15-12(11-14)7-9-16(18-15)17(19)21-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3
InChIKeyHCTNQGMMAQQAOL-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.73
Rot. Bonds3

About cyclohexyl 6-methoxyquinoline-2-carboxylate

cyclohexyl 6-methoxyquinoline-2-carboxylate (PubChem CID 24585683) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is cyclohexyl 6-methoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namecyclohexyl 6-methoxyquinoline-2-carboxylate
PubChem CID24585683
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namecyclohexyl 6-methoxyquinoline-2-carboxylate
SMILESCOc1ccc2nc(C(=O)OC3CCCCC3)ccc2c1
InChIInChI=1S/C17H19NO3/c1-20-14-8-10-15-12(11-14)7-9-16(18-15)17(19)21-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3
InChIKeyHCTNQGMMAQQAOL-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-1-yl 6-methoxyquinoline-2-carboxylate
CID 24585728
cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 75422217
(4-methoxypiperidin-1-yl)-(6-methoxyquinolin-2-yl)methanone
CID 56810636
N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide
CID 38283237
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 42929431
[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 110887007
N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 109399670
(2,4-dimethylphenyl) 6-methoxyquinoline-2-carboxylate
CID 24586178
N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide
CID 24601678
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 6-methoxyquinoline-2-carboxylate
CID 166246631
methyl 6-acetyloxyquinoline-2-carboxylate
CID 90723488
2,3-dihydroindol-1-yl-(6-methoxyquinolin-2-yl)methanone
CID 33314487

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 6-methoxyquinoline-2-carboxylate?
The IUPAC name of cyclohexyl 6-methoxyquinoline-2-carboxylate (CID 24585683) is cyclohexyl 6-methoxyquinoline-2-carboxylate.
What is the SMILES notation for cyclohexyl 6-methoxyquinoline-2-carboxylate?
The canonical SMILES for cyclohexyl 6-methoxyquinoline-2-carboxylate is COc1ccc2nc(C(=O)OC3CCCCC3)ccc2c1.
What is the InChIKey of cyclohexyl 6-methoxyquinoline-2-carboxylate?
The InChIKey is HCTNQGMMAQQAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-14-8-10-15-12(11-14)7-9-16(18-15)17(19)21-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3.
What are the key properties of cyclohexyl 6-methoxyquinoline-2-carboxylate?
cyclohexyl 6-methoxyquinoline-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 6-methoxyquinoline-2-carboxylate is sourced from PubChem (CID 24585683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).