2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide

C12H15N3O2 — CID 82496063

IUPAC2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
SMILESNCC(=O)NCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H15N3O2/c13-6-12(17)14-7-8-1-3-10-9(5-8)2-4-11(16)15-10/h1,3,5H,2,4,6-7,13H2,(H,14,17)(H,15,16)
InChIKeyXFELGXBOZANFGB-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.15
Rot. Bonds3

About 2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide

2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide (PubChem CID 82496063) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
PubChem CID82496063
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
SMILESNCC(=O)NCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H15N3O2/c13-6-12(17)14-7-8-1-3-10-9(5-8)2-4-11(16)15-10/h1,3,5H,2,4,6-7,13H2,(H,14,17)(H,15,16)
InChIKeyXFELGXBOZANFGB-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
CID 115191821
N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768429
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
CID 110775002
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
CID 110774998
3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115152989
1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110774999
6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115120551
N-[(2-methylphenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768423
N-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 166410295
N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide
CID 26434790

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide (CID 82496063) is 2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide is NCC(=O)NCc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide?
The InChIKey is XFELGXBOZANFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-6-12(17)14-7-8-1-3-10-9(5-8)2-4-11(16)15-10/h1,3,5H,2,4,6-7,13H2,(H,14,17)(H,15,16).
What are the key properties of 2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide?
2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide has a molecular weight of 233.27 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide is sourced from PubChem (CID 82496063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).