[(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone

C20H26N4O — CID 138057219

IUPAC[(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESCCc1nccn1C[C@H]1CCCN1C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C20H26N4O/c1-2-19-22-10-12-23(19)14-17-6-4-11-24(17)20(25)16-7-8-18-15(13-16)5-3-9-21-18/h7-8,10,12-13,17,21H,2-6,9,11,14H2,1H3/t17-/m1/s1
InChIKeyVAMWESRGIIKFTN-QGZVFWFLSA-N
MW338.46 g/mol
LogP3.11
Rot. Bonds4

About [(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone

[(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (PubChem CID 138057219) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
PubChem CID138057219
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESCCc1nccn1C[C@H]1CCCN1C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C20H26N4O/c1-2-19-22-10-12-23(19)14-17-6-4-11-24(17)20(25)16-7-8-18-15(13-16)5-3-9-21-18/h7-8,10,12-13,17,21H,2-6,9,11,14H2,1H3/t17-/m1/s1
InChIKeyVAMWESRGIIKFTN-QGZVFWFLSA-N
XLogP3.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1H-indol-5-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 54886081
2,3-dihydro-1H-indol-5-yl-[(2S)-2-ethylpyrrolidin-1-yl]methanone
CID 93394367
(2-propylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 83052849
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95323101
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 106586843
2-methyl-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 79369247
(3-aminophenyl)-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119897776
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325638
1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61157126
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 90492768
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-3-yl]acetamide
CID 60947810
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66262411

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The IUPAC name of [(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (CID 138057219) is [(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone.
What is the SMILES notation for [(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The canonical SMILES for [(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone is CCc1nccn1C[C@H]1CCCN1C(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of [(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The InChIKey is VAMWESRGIIKFTN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-19-22-10-12-23(19)14-17-6-4-11-24(17)20(25)16-7-8-18-15(13-16)5-3-9-21-18/h7-8,10,12-13,17,21H,2-6,9,11,14H2,1H3/t17-/m1/s1.
What are the key properties of [(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
[(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone has a molecular weight of 338.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2-ethylimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone is sourced from PubChem (CID 138057219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).