[2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate

C17H20N2O4 — CID 145441114

IUPAC[2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate
SMILESCC(=O)OCC(O)CNC(=O)Cc1ccc2ncc(C)cc2c1
InChIInChI=1S/C17H20N2O4/c1-11-5-14-6-13(3-4-16(14)18-8-11)7-17(22)19-9-15(21)10-23-12(2)20/h3-6,8,15,21H,7,9-10H2,1-2H3,(H,19,22)
InChIKeyZOOJUCQGGGGCNS-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.13
Rot. Bonds6

About [2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate

[2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate (PubChem CID 145441114) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate
PubChem CID145441114
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate
SMILESCC(=O)OCC(O)CNC(=O)Cc1ccc2ncc(C)cc2c1
InChIInChI=1S/C17H20N2O4/c1-11-5-14-6-13(3-4-16(14)18-8-11)7-17(22)19-9-15(21)10-23-12(2)20/h3-6,8,15,21H,7,9-10H2,1-2H3,(H,19,22)
InChIKeyZOOJUCQGGGGCNS-UHFFFAOYSA-N
XLogP1.13
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate with MolForge

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide
CID 171089996
3-(3-methylquinolin-6-yl)propanoic acid
CID 83886586
1-(3-methylquinolin-6-yl)propan-2-amine
CID 83880771
methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol
CID 158164435
methyl 3-methyl-2-(3-methylquinolin-6-yl)butanoate
CID 116997841
4-(3-methylquinolin-6-yl)butan-2-amine
CID 116997396
[3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate
CID 159832157
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111102918
N-[(3-methylquinolin-6-yl)methyl]cyclopropanamine
CID 116997781
2-(3-chloroquinolin-6-yl)acetohydrazide
CID 134178519
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-(4-methylphenyl)acetamide
CID 94814604

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate?
The IUPAC name of [2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate (CID 145441114) is [2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate.
What is the SMILES notation for [2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate?
The canonical SMILES for [2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate is CC(=O)OCC(O)CNC(=O)Cc1ccc2ncc(C)cc2c1.
What is the InChIKey of [2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate?
The InChIKey is ZOOJUCQGGGGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-5-14-6-13(3-4-16(14)18-8-11)7-17(22)19-9-15(21)10-23-12(2)20/h3-6,8,15,21H,7,9-10H2,1-2H3,(H,19,22).
What are the key properties of [2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate?
[2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate has a molecular weight of 316.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate is sourced from PubChem (CID 145441114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).