2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile

C20H18N4O2 — CID 857474

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile
SMILESCc1ccc2nc(N3CCN(C(=O)c4ccco4)CC3)c(C#N)cc2c1
InChIInChI=1S/C20H18N4O2/c1-14-4-5-17-15(11-14)12-16(13-21)19(22-17)23-6-8-24(9-7-23)20(25)18-3-2-10-26-18/h2-5,10-12H,6-9H2,1H3
InChIKeyZBTFFFBROMLEQG-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.97
Rot. Bonds2

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile

2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile (PubChem CID 857474) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile
PubChem CID857474
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile
SMILESCc1ccc2nc(N3CCN(C(=O)c4ccco4)CC3)c(C#N)cc2c1
InChIInChI=1S/C20H18N4O2/c1-14-4-5-17-15(11-14)12-16(13-21)19(22-17)23-6-8-24(9-7-23)20(25)18-3-2-10-26-18/h2-5,10-12H,6-9H2,1H3
InChIKeyZBTFFFBROMLEQG-UHFFFAOYSA-N
XLogP2.97
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42802463
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-6,7-dimethylquinoline-3-carbonitrile
CID 1454324
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 110348555
[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 133367981
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
[4-[6,7-dimethoxy-3-(methylamino)quinoxalin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 23934063
furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone
CID 133451181
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7539700

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile (CID 857474) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile is Cc1ccc2nc(N3CCN(C(=O)c4ccco4)CC3)c(C#N)cc2c1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile?
The InChIKey is ZBTFFFBROMLEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14-4-5-17-15(11-14)12-16(13-21)19(22-17)23-6-8-24(9-7-23)20(25)18-3-2-10-26-18/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile has a molecular weight of 346.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile is sourced from PubChem (CID 857474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).