(3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one

C17H16N2O3 — CID 68783474

IUPAC(3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cc(-c3ccc4c(c3)CCO4)ccc2N(O)C1=O
InChIInChI=1S/C17H16N2O3/c18-14-9-13-8-10(1-3-15(13)19(21)17(14)20)11-2-4-16-12(7-11)5-6-22-16/h1-4,7-8,14,21H,5-6,9,18H2/t14-/m0/s1
InChIKeyVMLWSXQUFVRKPG-AWEZNQCLSA-N
MW296.33 g/mol
LogP1.89
Rot. Bonds1

About (3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one

(3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one (PubChem CID 68783474) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one
PubChem CID68783474
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESN[C@H]1Cc2cc(-c3ccc4c(c3)CCO4)ccc2N(O)C1=O
InChIInChI=1S/C17H16N2O3/c18-14-9-13-8-10(1-3-15(13)19(21)17(14)20)11-2-4-16-12(7-11)5-6-22-16/h1-4,7-8,14,21H,5-6,9,18H2/t14-/m0/s1
InChIKeyVMLWSXQUFVRKPG-AWEZNQCLSA-N
XLogP1.89
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline
CID 81287575
2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
CID 114076490
1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one
CID 141156173
4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one
CID 70061931
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
(2S)-2-amino-3-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]propanoic acid
CID 172529875
3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine
CID 107383052
[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methanamine
CID 54910506
3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532675
(5S)-3-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 94744468
5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
CID 54974551
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
CID 104544998

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one (CID 68783474) is (3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one is N[C@H]1Cc2cc(-c3ccc4c(c3)CCO4)ccc2N(O)C1=O.
What is the InChIKey of (3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one?
The InChIKey is VMLWSXQUFVRKPG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16N2O3/c18-14-9-13-8-10(1-3-15(13)19(21)17(14)20)11-2-4-16-12(7-11)5-6-22-16/h1-4,7-8,14,21H,5-6,9,18H2/t14-/m0/s1.
What are the key properties of (3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one?
(3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one has a molecular weight of 296.33 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68783474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).