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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Related Compounds

N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
CID 59740701
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylacetamide
CID 664652
N-(3-chlorophenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
CID 59740649
2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide
CID 664261
4-(aminomethyl)-1H-quinolin-2-one;hydrochloride
CID 54595267
4-[2-(prop-2-enylamino)ethyl]-1H-quinolin-2-one
CID 71416345
methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium
CID 7061139
N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 664948
4-(methylsulfanylmethyl)-1H-quinolin-2-one
CID 15269617
4-prop-2-enyl-1H-quinolin-2-one
CID 66696786
4-(aminomethyl)-1H-quinolin-2-one;azane;4-(bromomethyl)-1H-quinolin-2-one
CID 159957961
4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenyl-1,3-thiazole-5-carboxamide
CID 42618037

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).