[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone

C19H19N3O2 — CID 46547011

IUPAC[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H19N3O2/c23-19(18-8-7-15-4-1-2-6-17(15)20-18)22-11-9-21(10-12-22)14-16-5-3-13-24-16/h1-8,13H,9-12,14H2
InChIKeyXXIRGNRKMRDQOH-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.79
Rot. Bonds3

About [4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone

[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone (PubChem CID 46547011) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is [4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
PubChem CID46547011
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H19N3O2/c23-19(18-8-7-15-4-1-2-6-17(15)20-18)22-11-9-21(10-12-22)14-16-5-3-13-24-16/h1-8,13H,9-12,14H2
InChIKeyXXIRGNRKMRDQOH-UHFFFAOYSA-N
XLogP2.79
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone with MolForge

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Related Compounds

[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 9109587
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
(1-ethylpyrazol-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19279222
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-quinolin-2-ylmethanone
CID 30953204
[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 90571337
quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 23045035
2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42945115
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 19572528
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
(6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46536259
(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
CID 38388017

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone (CID 46547011) is [4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of [4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is XXIRGNRKMRDQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(18-8-7-15-4-1-2-6-17(15)20-18)22-11-9-21(10-12-22)14-16-5-3-13-24-16/h1-8,13H,9-12,14H2.
What are the key properties of [4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone?
[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 321.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 46547011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).