5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C18H20N2O2 — CID 56820894

IUPAC5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H20N2O2/c21-18-7-5-14-15(2-1-3-16(14)20-18)19-11-12-4-6-17-13(10-12)8-9-22-17/h4-7,10,15,19H,1-3,8-9,11H2,(H,20,21)
InChIKeyYGXNOQMXZLVLQD-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.48
Rot. Bonds3

About 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 56820894) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID56820894
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H20N2O2/c21-18-7-5-14-15(2-1-3-16(14)20-18)19-11-12-4-6-17-13(10-12)8-9-22-17/h4-7,10,15,19H,1-3,8-9,11H2,(H,20,21)
InChIKeyYGXNOQMXZLVLQD-UHFFFAOYSA-N
XLogP2.48
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

Analyze 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

(5R)-5-(naphthalen-2-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 97314987
5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108138
5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107715
5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107701
5-[(5-methylpyrazin-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108719
5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81109345
5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103903735
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112731894
5-[(4-methylmorpholin-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108016
5-[[2-(dimethylamino)-3-methylbutyl]amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108285
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 65444645
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 56820894) is 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCc1ccc2c(c1)CCO2.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is YGXNOQMXZLVLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18-7-5-14-15(2-1-3-16(14)20-18)19-11-12-4-6-17-13(10-12)8-9-22-17/h4-7,10,15,19H,1-3,8-9,11H2,(H,20,21).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 296.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 56820894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).