[2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone

C19H18N2O2S — CID 86992364

IUPAC[2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone
SMILESO=C(c1cc(-c2ccco2)nc2ccccc12)N1CCCSCC1
InChIInChI=1S/C19H18N2O2S/c22-19(21-8-4-11-24-12-9-21)15-13-17(18-7-3-10-23-18)20-16-6-2-1-5-14(15)16/h1-3,5-7,10,13H,4,8-9,11-12H2
InChIKeyLADDGBPUBUIQDN-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.07
Rot. Bonds2

About [2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone

[2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone (PubChem CID 86992364) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is [2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone
PubChem CID86992364
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name[2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone
SMILESO=C(c1cc(-c2ccco2)nc2ccccc12)N1CCCSCC1
InChIInChI=1S/C19H18N2O2S/c22-19(21-8-4-11-24-12-9-21)15-13-17(18-7-3-10-23-18)20-16-6-2-1-5-14(15)16/h1-3,5-7,10,13H,4,8-9,11-12H2
InChIKeyLADDGBPUBUIQDN-UHFFFAOYSA-N
XLogP4.07
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.07
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
[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 41308568
1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55596344
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799
1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117964
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 55808329
[2-(furan-2-yl)quinolin-4-yl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42895594
[2-(furan-2-yl)quinolin-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55500575
1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one
CID 149146668
[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 119436975
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462
[2-(furan-2-yl)quinolin-4-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474799

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone?
The IUPAC name of [2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone (CID 86992364) is [2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone.
What is the SMILES notation for [2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone?
The canonical SMILES for [2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone is O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCCSCC1.
What is the InChIKey of [2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone?
The InChIKey is LADDGBPUBUIQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-19(21-8-4-11-24-12-9-21)15-13-17(18-7-3-10-23-18)20-16-6-2-1-5-14(15)16/h1-3,5-7,10,13H,4,8-9,11-12H2.
What are the key properties of [2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone?
[2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone has a molecular weight of 338.43 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone is sourced from PubChem (CID 86992364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).