6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one

C13H16N2O3 — CID 116826594

IUPAC6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(=O)C(O)CN)ccc21
InChIInChI=1S/C13H16N2O3/c1-15-10-4-2-9(13(18)11(16)7-14)6-8(10)3-5-12(15)17/h2,4,6,11,16H,3,5,7,14H2,1H3
InChIKeyJMUJSVLINBQONL-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.10
Rot. Bonds3

About 6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one

6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 116826594) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID116826594
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(=O)C(O)CN)ccc21
InChIInChI=1S/C13H16N2O3/c1-15-10-4-2-9(13(18)11(16)7-14)6-8(10)3-5-12(15)17/h2,4,6,11,16H,3,5,7,14H2,1H3
InChIKeyJMUJSVLINBQONL-UHFFFAOYSA-N
XLogP0.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
CID 115180262
6-(4-aminopentanoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116916203
1-methyl-6-(2-methyl-3-piperidin-1-ylpropanoyl)-3,4-dihydroquinolin-2-one
CID 70580786
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butane-1,3-dione
CID 82294637
3-bromo-1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propane-1,2-dione
CID 116822726
1-methyl-6-(1-methylcyclopropanecarbonyl)-3,4-dihydroquinolin-2-one
CID 82293701
1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one
CID 82284659
6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116921112
3-hydroxypropyl 1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylate
CID 116863021
6-(4-bromobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096081
5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-oxopentanoic acid
CID 63095218
1-methyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 52986183

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 116826594) is 6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(=O)C(O)CN)ccc21.
What is the InChIKey of 6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is JMUJSVLINBQONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15-10-4-2-9(13(18)11(16)7-14)6-8(10)3-5-12(15)17/h2,4,6,11,16H,3,5,7,14H2,1H3.
What are the key properties of 6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 248.28 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 116826594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).