3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide

C13H17N3O3 — CID 115180262

IUPAC3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
SMILESCN1C(=O)CCc2cc(NC(=O)C(O)CN)ccc21
InChIInChI=1S/C13H17N3O3/c1-16-10-4-3-9(15-13(19)11(17)7-14)6-8(10)2-5-12(16)18/h3-4,6,11,17H,2,5,7,14H2,1H3,(H,15,19)
InChIKeyCIGDSWUNUNZKJZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.15
Rot. Bonds3

About 3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide

3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide (PubChem CID 115180262) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
PubChem CID115180262
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
SMILESCN1C(=O)CCc2cc(NC(=O)C(O)CN)ccc21
InChIInChI=1S/C13H17N3O3/c1-16-10-4-3-9(15-13(19)11(17)7-14)6-8(10)2-5-12(16)18/h3-4,6,11,17H,2,5,7,14H2,1H3,(H,15,19)
InChIKeyCIGDSWUNUNZKJZ-UHFFFAOYSA-N
XLogP-0.15
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116826594
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046
1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376030
4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571261
6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 115131631
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)cyclohexanecarboxamide
CID 40829137
1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376078
6-(4-aminobutylamino)-1-methyl-3,4-dihydroquinolin-2-one
CID 115200987
2-chloro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27421932
2-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 40805138
3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
CID 71806539

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide?
The IUPAC name of 3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide (CID 115180262) is 3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide is CN1C(=O)CCc2cc(NC(=O)C(O)CN)ccc21.
What is the InChIKey of 3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide?
The InChIKey is CIGDSWUNUNZKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16-10-4-3-9(15-13(19)11(17)7-14)6-8(10)2-5-12(16)18/h3-4,6,11,17H,2,5,7,14H2,1H3,(H,15,19).
What are the key properties of 3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide?
3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide has a molecular weight of 263.30 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide is sourced from PubChem (CID 115180262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).