(5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one

C15H19N3O3 — CID 70285284

IUPAC(5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)CCc2cccc(N3C[C@H](CN)OC3=O)c21
InChIInChI=1S/C15H19N3O3/c1-2-17-13(19)7-6-10-4-3-5-12(14(10)17)18-9-11(8-16)21-15(18)20/h3-5,11H,2,6-9,16H2,1H3/t11-/m0/s1
InChIKeyADMSTUQIQAIEAG-NSHDSACASA-N
MW289.33 g/mol
LogP1.27
Rot. Bonds3

About (5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one (PubChem CID 70285284) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one
PubChem CID70285284
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)CCc2cccc(N3C[C@H](CN)OC3=O)c21
InChIInChI=1S/C15H19N3O3/c1-2-17-13(19)7-6-10-4-3-5-12(14(10)17)18-9-11(8-16)21-15(18)20/h3-5,11H,2,6-9,16H2,1H3/t11-/m0/s1
InChIKeyADMSTUQIQAIEAG-NSHDSACASA-N
XLogP1.27
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 82023144
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one
CID 69318976
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 175215345
(5S)-5-(aminomethyl)-3-(9H-fluoren-2-yl)-1,3-oxazolidin-2-one
CID 15858850
(5S)-5-(aminomethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one
CID 59953065
3-(1-acetyl-2,3-dihydroindol-5-yl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 22982594
5-(aminomethyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 23394079
(5R)-5-(aminomethyl)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-1,3-oxazolidin-2-one;[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 162112890
5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one
CID 116838093

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one (CID 70285284) is (5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one is CCN1C(=O)CCc2cccc(N3C[C@H](CN)OC3=O)c21.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one?
The InChIKey is ADMSTUQIQAIEAG-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-17-13(19)7-6-10-4-3-5-12(14(10)17)18-9-11(8-16)21-15(18)20/h3-5,11H,2,6-9,16H2,1H3/t11-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one has a molecular weight of 289.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-8-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70285284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).