1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

C28H27N3O3 — CID 55596344

IUPAC1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C28H27N3O3/c1-28(2,20-9-4-3-5-10-20)27(33)31-16-14-30(15-17-31)26(32)22-19-24(25-13-8-18-34-25)29-23-12-7-6-11-21(22)23/h3-13,18-19H,14-17H2,1-2H3
InChIKeyGIRAUCKFPKHPRE-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.76
Rot. Bonds4

About 1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (PubChem CID 55596344) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
PubChem CID55596344
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC Name1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C28H27N3O3/c1-28(2,20-9-4-3-5-10-20)27(33)31-16-14-30(15-17-31)26(32)22-19-24(25-13-8-18-34-25)29-23-12-7-6-11-21(22)23/h3-13,18-19H,14-17H2,1-2H3
InChIKeyGIRAUCKFPKHPRE-UHFFFAOYSA-N
XLogP4.76
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one with MolForge

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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]piperidin-4-yl]-phenylmethanone
CID 41308568
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
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
(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-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 46579880
[2-(furan-2-yl)quinolin-4-yl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474799
N-[2-(tert-butylamino)-2-oxoethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 26456849
[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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (CID 55596344) is 1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)N1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1)c1ccccc1.
What is the InChIKey of 1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The InChIKey is GIRAUCKFPKHPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-28(2,20-9-4-3-5-10-20)27(33)31-16-14-30(15-17-31)26(32)22-19-24(25-13-8-18-34-25)29-23-12-7-6-11-21(22)23/h3-13,18-19H,14-17H2,1-2H3.
What are the key properties of 1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one has a molecular weight of 453.54 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 55596344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).