[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone

C26H22N2O3 — CID 41308568

IUPAC[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1
InChIInChI=1S/C26H22N2O3/c29-25(18-7-2-1-3-8-18)19-12-14-28(15-13-19)26(30)21-17-23(24-11-6-16-31-24)27-22-10-5-4-9-20(21)22/h1-11,16-17,19H,12-15H2
InChIKeyAUHUBXSMNVZUQK-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.23
Rot. Bonds4

About [1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone

[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone (PubChem CID 41308568) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is [1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
PubChem CID41308568
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1
InChIInChI=1S/C26H22N2O3/c29-25(18-7-2-1-3-8-18)19-12-14-28(15-13-19)26(30)21-17-23(24-11-6-16-31-24)27-22-10-5-4-9-20(21)22/h1-11,16-17,19H,12-15H2
InChIKeyAUHUBXSMNVZUQK-UHFFFAOYSA-N
XLogP5.23
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
CID 119375996
[2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992364
1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117964
1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55596344
(4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone
CID 24615482
[1-[3-(furan-2-yl)-1-phenylpyrazole-5-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24682960
2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide
CID 55635239
[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 119436975
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395388
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 55808329
(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55955997
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799

Frequently Asked Questions

What is the IUPAC name of [1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone (CID 41308568) is [1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1.
What is the InChIKey of [1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is AUHUBXSMNVZUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c29-25(18-7-2-1-3-8-18)19-12-14-28(15-13-19)26(30)21-17-23(24-11-6-16-31-24)27-22-10-5-4-9-20(21)22/h1-11,16-17,19H,12-15H2.
What are the key properties of [1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone?
[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 410.47 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 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]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 41308568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).