4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one

C16H18N2O2 — CID 84588587

IUPAC4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(NCC1CC(=O)Nc2ccccc21)c1ccco1
InChIInChI=1S/C16H18N2O2/c1-11(15-7-4-8-20-15)17-10-12-9-16(19)18-14-6-3-2-5-13(12)14/h2-8,11-12,17H,9-10H2,1H3,(H,18,19)
InChIKeyLRAGPLOFCFKBFW-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.06
Rot. Bonds4

About 4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one

4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 84588587) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID84588587
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(NCC1CC(=O)Nc2ccccc21)c1ccco1
InChIInChI=1S/C16H18N2O2/c1-11(15-7-4-8-20-15)17-10-12-9-16(19)18-14-6-3-2-5-13(12)14/h2-8,11-12,17H,9-10H2,1H3,(H,18,19)
InChIKeyLRAGPLOFCFKBFW-UHFFFAOYSA-N
XLogP3.06
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 99781975
(4R)-4-[[[(1R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 97138262
3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43535566
4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8919402
2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 111823615
4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one
CID 14624973
N-[furan-2-yl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134036544
(4R)-4-[[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 98890651
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81403787
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea
CID 97059749
N-[1-(furan-2-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142639
(1R)-1-(furan-2-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162320

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one (CID 84588587) is 4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one is CC(NCC1CC(=O)Nc2ccccc21)c1ccco1.
What is the InChIKey of 4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LRAGPLOFCFKBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(15-7-4-8-20-15)17-10-12-9-16(19)18-14-6-3-2-5-13(12)14/h2-8,11-12,17H,9-10H2,1H3,(H,18,19).
What are the key properties of 4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one?
4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 270.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 84588587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).