ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate

C22H26N4O2 — CID 133448340

IUPACethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(C)ccc2c1N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C22H26N4O2/c1-4-28-22(27)18-12-25-19-15(3)14(2)7-8-17(19)20(18)26-11-5-6-16(13-26)21-23-9-10-24-21/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,23,24)
InChIKeyCGHCOOAZEBOAFB-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.14
Rot. Bonds4

About ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate

ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate (PubChem CID 133448340) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate
PubChem CID133448340
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Nameethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(C)ccc2c1N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C22H26N4O2/c1-4-28-22(27)18-12-25-19-15(3)14(2)7-8-17(19)20(18)26-11-5-6-16(13-26)21-23-9-10-24-21/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,23,24)
InChIKeyCGHCOOAZEBOAFB-UHFFFAOYSA-N
XLogP4.14
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-methyl-3-(prop-2-enoylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599594
3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10550254
3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4,7-dicarboxylic acid dimethyl ester
CID 10672429
methyl 3-(aminomethyl)-4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzoate
CID 20725627
ethyl 4-[2-methyl-3-(prop-2-enoylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599509
ethyl 4-[4-methyl-3-(2-methylprop-2-enoylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599595
Ethyl 7,8-dimethyl-4-({4-[(2-pyrimidinylamino)sulfonyl]phenyl}amino)-3-quinolinecarboxylate
CID 1190499
ethyl 4-[6-amino-5-(4-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]benzoate
CID 44528980
3-[2-[(1R,3R)-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-1H-imidazol-5-yl]benzoic acid
CID 127029889
Ethyl 6-(2-amino-4-pyridinyl)-4-[[4-(pyrrolidin-1-ylmethyl)cyclohexyl]amino]-1,5-naphthyridine-3-carboxylate
CID 156020082
methyl 3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]benzoate
CID 162674356
8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869166

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate (CID 133448340) is ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)c(C)ccc2c1N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate?
The InChIKey is CGHCOOAZEBOAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-28-22(27)18-12-25-19-15(3)14(2)7-8-17(19)20(18)26-11-5-6-16(13-26)21-23-9-10-24-21/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,23,24).
What are the key properties of ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate?
ethyl 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-7,8-dimethylquinoline-3-carboxylate has a molecular weight of 378.48 g/mol, XLogP of 4.14, 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]-7,8-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 133448340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).