1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid

C19H19FN4O2 — CID 56901729

IUPAC1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2ccnc2)CCN(Cc2ccc3cccc(F)c3n2)CC1
InChIInChI=1S/C19H19FN4O2/c20-16-3-1-2-14-4-5-15(22-17(14)16)12-23-9-6-19(7-10-23,18(25)26)24-11-8-21-13-24/h1-5,8,11,13H,6-7,9-10,12H2,(H,25,26)
InChIKeyGOSHBKCZZCVOJL-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.65
Rot. Bonds4

About 1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid

1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56901729) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56901729
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2ccnc2)CCN(Cc2ccc3cccc(F)c3n2)CC1
InChIInChI=1S/C19H19FN4O2/c20-16-3-1-2-14-4-5-15(22-17(14)16)12-23-9-6-19(7-10-23,18(25)26)24-11-8-21-13-24/h1-5,8,11,13H,6-7,9-10,12H2,(H,25,26)
InChIKeyGOSHBKCZZCVOJL-UHFFFAOYSA-N
XLogP2.65
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-chloro-5-fluorophenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56894489
1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56889081
1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56887637
2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70718280
4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid
CID 95872164
4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid
CID 56884519
1-imidazol-1-ylcyclooctane-1-carboxylic acid
CID 82235123
4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 56898257
[(3aR,7aR)-2-[(8-fluoroquinolin-2-yl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137342768
4-imidazol-1-yloxane-4-carboxylic acid
CID 82235125
N-[(1R,2R)-1'-[(8-fluoroquinolin-2-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 42452316
1-(furan-2-ylmethyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155874103

Frequently Asked Questions

What is the IUPAC name of 1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid (CID 56901729) is 1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid is O=C(O)C1(n2ccnc2)CCN(Cc2ccc3cccc(F)c3n2)CC1.
What is the InChIKey of 1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is GOSHBKCZZCVOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-16-3-1-2-14-4-5-15(22-17(14)16)12-23-9-6-19(7-10-23,18(25)26)24-11-8-21-13-24/h1-5,8,11,13H,6-7,9-10,12H2,(H,25,26).
What are the key properties of 1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 354.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56901729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).