4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one

C22H20N2O2 — CID 59740730

IUPAC4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one
SMILESO=c1cc(CN(CCc2ccco2)c2ccccc2)c2ccccc2[nH]1
InChIInChI=1S/C22H20N2O2/c25-22-15-17(20-10-4-5-11-21(20)23-22)16-24(18-7-2-1-3-8-18)13-12-19-9-6-14-26-19/h1-11,14-15H,12-13,16H2,(H,23,25)
InChIKeyTVRBPTMXZKGSCK-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.37
Rot. Bonds6

About 4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one

4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one (PubChem CID 59740730) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one
PubChem CID59740730
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one
SMILESO=c1cc(CN(CCc2ccco2)c2ccccc2)c2ccccc2[nH]1
InChIInChI=1S/C22H20N2O2/c25-22-15-17(20-10-4-5-11-21(20)23-22)16-24(18-7-2-1-3-8-18)13-12-19-9-6-14-26-19/h1-11,14-15H,12-13,16H2,(H,23,25)
InChIKeyTVRBPTMXZKGSCK-UHFFFAOYSA-N
XLogP4.37
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one?
The IUPAC name of 4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one (CID 59740730) is 4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one is O=c1cc(CN(CCc2ccco2)c2ccccc2)c2ccccc2[nH]1.
What is the InChIKey of 4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one?
The InChIKey is TVRBPTMXZKGSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-22-15-17(20-10-4-5-11-21(20)23-22)16-24(18-7-2-1-3-8-18)13-12-19-9-6-14-26-19/h1-11,14-15H,12-13,16H2,(H,23,25).
What are the key properties of 4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one?
4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one has a molecular weight of 344.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N-[2-(furan-2-yl)ethyl]anilino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 59740730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).