ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate

C21H24N4O2 — CID 133448316

IUPACethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C21H24N4O2/c1-3-27-21(26)17-12-24-18-7-6-14(2)11-16(18)19(17)25-10-4-5-15(13-25)20-22-8-9-23-20/h6-9,11-12,15H,3-5,10,13H2,1-2H3,(H,22,23)
InChIKeyKKJQNOBMCAOLCL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.83
Rot. Bonds4

About ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate

ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate (PubChem CID 133448316) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
PubChem CID133448316
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Nameethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C21H24N4O2/c1-3-27-21(26)17-12-24-18-7-6-14(2)11-16(18)19(17)25-10-4-5-15(13-25)20-22-8-9-23-20/h6-9,11-12,15H,3-5,10,13H2,1-2H3,(H,22,23)
InChIKeyKKJQNOBMCAOLCL-UHFFFAOYSA-N
XLogP3.83
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate
CID 133448340
ethyl 6-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carboxylate
CID 133448811
ethyl 4-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 133384480
ethyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-6-methylquinoline-3-carboxylate
CID 133410698
ethyl 6-ethoxy-4-(3-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 4157109
ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate
CID 133397813
ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133277758
ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate
CID 66487373
methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133448398
ethyl 6-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]quinoline-3-carboxylate
CID 133388780
ethyl 1-[3-(4-ethylphenyl)sulfonyl-6-methylquinolin-4-yl]piperidine-3-carboxylate
CID 18590206
ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate
CID 133388687

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate (CID 133448316) is ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(C)cc2c1N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate?
The InChIKey is KKJQNOBMCAOLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-27-21(26)17-12-24-18-7-6-14(2)11-16(18)19(17)25-10-4-5-15(13-25)20-22-8-9-23-20/h6-9,11-12,15H,3-5,10,13H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate?
ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylquinoline-3-carboxylate is sourced from PubChem (CID 133448316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).