2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid

C13H16N2O3 — CID 115218053

IUPAC2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
SMILESCNCc1ccc2c(c1)CCC(=O)N2CC(=O)O
InChIInChI=1S/C13H16N2O3/c1-14-7-9-2-4-11-10(6-9)3-5-12(16)15(11)8-13(17)18/h2,4,6,14H,3,5,7-8H2,1H3,(H,17,18)
InChIKeyIYUVPXZLVZFZGI-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.77
Rot. Bonds4

About 2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid

2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid (PubChem CID 115218053) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
PubChem CID115218053
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
SMILESCNCc1ccc2c(c1)CCC(=O)N2CC(=O)O
InChIInChI=1S/C13H16N2O3/c1-14-7-9-2-4-11-10(6-9)3-5-12(16)15(11)8-13(17)18/h2,4,6,14H,3,5,7-8H2,1H3,(H,17,18)
InChIKeyIYUVPXZLVZFZGI-UHFFFAOYSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
CID 115234864
6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid
CID 115170974
5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one
CID 115234861
1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
CID 115119844
1,5-bis(methylaminomethyl)-3H-indol-2-one
CID 115226998
1-ethyl-6-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 115259576
1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
CID 117039999
1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 115262042
2-(7-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid
CID 165350864
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
1-[4-(methylamino)butyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115202033

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid?
The IUPAC name of 2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid (CID 115218053) is 2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid?
The canonical SMILES for 2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid is CNCc1ccc2c(c1)CCC(=O)N2CC(=O)O.
What is the InChIKey of 2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid?
The InChIKey is IYUVPXZLVZFZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-14-7-9-2-4-11-10(6-9)3-5-12(16)15(11)8-13(17)18/h2,4,6,14H,3,5,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid?
2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid has a molecular weight of 248.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid is sourced from PubChem (CID 115218053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).