[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone

C21H23N3O2 — CID 119436975

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
SMILESCC(N)C1CCCCN1C(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H23N3O2/c1-14(22)19-9-4-5-11-24(19)21(25)16-13-18(20-10-6-12-26-20)23-17-8-3-2-7-15(16)17/h2-3,6-8,10,12-14,19H,4-5,9,11,22H2,1H3
InChIKeyMLOYYMOZIXICAX-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.84
Rot. Bonds3

About [2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone

[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone (PubChem CID 119436975) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
PubChem CID119436975
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
SMILESCC(N)C1CCCCN1C(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H23N3O2/c1-14(22)19-9-4-5-11-24(19)21(25)16-13-18(20-10-6-12-26-20)23-17-8-3-2-7-15(16)17/h2-3,6-8,10,12-14,19H,4-5,9,11,22H2,1H3
InChIKeyMLOYYMOZIXICAX-UHFFFAOYSA-N
XLogP3.84
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone with MolForge

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
CID 119435832
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2693380
(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
CID 119375996
[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 41308568
1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55969264
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117964
[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 51291906
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395388
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799
2-(furan-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 2390768
[2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992364

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone (CID 119436975) is [2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone is CC(N)C1CCCCN1C(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone?
The InChIKey is MLOYYMOZIXICAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(22)19-9-4-5-11-24(19)21(25)16-13-18(20-10-6-12-26-20)23-17-8-3-2-7-15(16)17/h2-3,6-8,10,12-14,19H,4-5,9,11,22H2,1H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone?
[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 119436975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).