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

C20H20N4O2 — CID 58799127

IUPAC4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile
SMILESCn1c(=O)c(C#N)c(N2CCN(Cc3ccco3)CC2)c2ccccc21
InChIInChI=1S/C20H20N4O2/c1-22-18-7-3-2-6-16(18)19(17(13-21)20(22)25)24-10-8-23(9-11-24)14-15-5-4-12-26-15/h2-7,12H,8-11,14H2,1H3
InChIKeyBNCJXLGGQDWCEE-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.33
Rot. Bonds3

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

4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile (PubChem CID 58799127) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile
PubChem CID58799127
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile
SMILESCn1c(=O)c(C#N)c(N2CCN(Cc3ccco3)CC2)c2ccccc21
InChIInChI=1S/C20H20N4O2/c1-22-18-7-3-2-6-16(18)19(17(13-21)20(22)25)24-10-8-23(9-11-24)14-15-5-4-12-26-15/h2-7,12H,8-11,14H2,1H3
InChIKeyBNCJXLGGQDWCEE-UHFFFAOYSA-N
XLogP2.33
TPSA65.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile?
The IUPAC name of 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile (CID 58799127) is 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile is Cn1c(=O)c(C#N)c(N2CCN(Cc3ccco3)CC2)c2ccccc21.
What is the InChIKey of 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile?
The InChIKey is BNCJXLGGQDWCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-22-18-7-3-2-6-16(18)19(17(13-21)20(22)25)24-10-8-23(9-11-24)14-15-5-4-12-26-15/h2-7,12H,8-11,14H2,1H3.
What are the key properties of 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile?
4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile has a molecular weight of 348.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 58799127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).