4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile

C24H20N4O4 — CID 58799187

IUPAC4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile
SMILESN#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(Cc2ccoc2)c1=O
InChIInChI=1S/C24H20N4O4/c25-14-19-22(26-8-10-27(11-9-26)24(30)21-6-3-12-32-21)18-4-1-2-5-20(18)28(23(19)29)15-17-7-13-31-16-17/h1-7,12-13,16H,8-11,15H2
InChIKeyPXPDGFQTDKRCNV-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.07
Rot. Bonds4

About 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile

4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile (PubChem CID 58799187) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile
PubChem CID58799187
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile
SMILESN#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(Cc2ccoc2)c1=O
InChIInChI=1S/C24H20N4O4/c25-14-19-22(26-8-10-27(11-9-26)24(30)21-6-3-12-32-21)18-4-1-2-5-20(18)28(23(19)29)15-17-7-13-31-16-17/h1-7,12-13,16H,8-11,15H2
InChIKeyPXPDGFQTDKRCNV-UHFFFAOYSA-N
XLogP3.07
TPSA95.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile with MolForge

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Related Compounds

azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 159792567
azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile
CID 162334317
1-benzyl-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 58799195
azane;1-benzyl-4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 162306393
1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile
CID 58799240
3-(dihydroxyamino)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)quinolin-2-one
CID 162598894
1-[(4-fluorophenyl)methyl]-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile
CID 89052513
1-[(4-cyanophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081879
azane;chloromethane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one
CID 160666698
1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one
CID 23543767
2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carbonitrile
CID 21081944
4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitro-1-(2-phenylethyl)quinolin-2-one
CID 23543846

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile?
The IUPAC name of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile (CID 58799187) is 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile is N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(Cc2ccoc2)c1=O.
What is the InChIKey of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile?
The InChIKey is PXPDGFQTDKRCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c25-14-19-22(26-8-10-27(11-9-26)24(30)21-6-3-12-32-21)18-4-1-2-5-20(18)28(23(19)29)15-17-7-13-31-16-17/h1-7,12-13,16H,8-11,15H2.
What are the key properties of 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile?
4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile has a molecular weight of 428.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 58799187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).