1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid

C21H20N2O4 — CID 122117964

IUPAC1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2cc(-c3ccco3)nc3ccccc23)C1
InChIInChI=1S/C21H20N2O4/c1-13-9-14(21(25)26)12-23(11-13)20(24)16-10-18(19-7-4-8-27-19)22-17-6-3-2-5-15(16)17/h2-8,10,13-14H,9,11-12H2,1H3,(H,25,26)
InChIKeyXIUHEXRTBUTARZ-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.68
Rot. Bonds3

About 1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117964) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122117964
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2cc(-c3ccco3)nc3ccccc23)C1
InChIInChI=1S/C21H20N2O4/c1-13-9-14(21(25)26)12-23(11-13)20(24)16-10-18(19-7-4-8-27-19)22-17-6-3-2-5-15(16)17/h2-8,10,13-14H,9,11-12H2,1H3,(H,25,26)
InChIKeyXIUHEXRTBUTARZ-UHFFFAOYSA-N
XLogP3.68
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 41308568
(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
CID 119375996
1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55596344
1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118877
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
[2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992364
[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3338926
[2-(furan-2-yl)quinolin-4-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474799
[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 119436975
1-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354813
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 1220276
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 55808329

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid (CID 122117964) is 1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)c2cc(-c3ccco3)nc3ccccc23)C1.
What is the InChIKey of 1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is XIUHEXRTBUTARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13-9-14(21(25)26)12-23(11-13)20(24)16-10-18(19-7-4-8-27-19)22-17-6-3-2-5-15(16)17/h2-8,10,13-14H,9,11-12H2,1H3,(H,25,26).
What are the key properties of 1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).