2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide

C21H22N4O3 — CID 175931035

IUPAC2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2cc(C(=O)N3CCN(CC(N)=O)CC3)c3ccccc3n2)o1
InChIInChI=1S/C21H22N4O3/c1-14-6-7-19(28-14)18-12-16(15-4-2-3-5-17(15)23-18)21(27)25-10-8-24(9-11-25)13-20(22)26/h2-7,12H,8-11,13H2,1H3,(H2,22,26)
InChIKeyYMRQDCFVBLKFSN-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.05
Rot. Bonds4

About 2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide

2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide (PubChem CID 175931035) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
PubChem CID175931035
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2cc(C(=O)N3CCN(CC(N)=O)CC3)c3ccccc3n2)o1
InChIInChI=1S/C21H22N4O3/c1-14-6-7-19(28-14)18-12-16(15-4-2-3-5-17(15)23-18)21(27)25-10-8-24(9-11-25)13-20(22)26/h2-7,12H,8-11,13H2,1H3,(H2,22,26)
InChIKeyYMRQDCFVBLKFSN-UHFFFAOYSA-N
XLogP2.05
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
CID 1261213
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
[2-(5-methylfuran-2-yl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1222852
2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
CID 3372702
N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18168945
N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
CID 46653075
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
2-(5-methylfuran-2-yl)-N-morpholin-4-ylquinoline-4-carboxamide
CID 5003008
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 8751097
1-[3-[6-methyl-2-(5-methylfuran-2-yl)quinoline-4-carbonyl]-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 175931011
N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 38417891
2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide (CID 175931035) is 2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide is Cc1ccc(-c2cc(C(=O)N3CCN(CC(N)=O)CC3)c3ccccc3n2)o1.
What is the InChIKey of 2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is YMRQDCFVBLKFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-6-7-19(28-14)18-12-16(15-4-2-3-5-17(15)23-18)21(27)25-10-8-24(9-11-25)13-20(22)26/h2-7,12H,8-11,13H2,1H3,(H2,22,26).
What are the key properties of 2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide?
2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 175931035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).