6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid

C12H14N2O3 — CID 115170974

IUPAC6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid
SMILESCNCc1ccc2c(c1)CCC(=O)N2C(=O)O
InChIInChI=1S/C12H14N2O3/c1-13-7-8-2-4-10-9(6-8)3-5-11(15)14(10)12(16)17/h2,4,6,13H,3,5,7H2,1H3,(H,16,17)
InChIKeyBSPQXKKSSATPHZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.36
Rot. Bonds2

About 6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid

6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid (PubChem CID 115170974) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid.

Molecular Properties

Compound Name6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid
PubChem CID115170974
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid
SMILESCNCc1ccc2c(c1)CCC(=O)N2C(=O)O
InChIInChI=1S/C12H14N2O3/c1-13-7-8-2-4-10-9(6-8)3-5-11(15)14(10)12(16)17/h2,4,6,13H,3,5,7H2,1H3,(H,16,17)
InChIKeyBSPQXKKSSATPHZ-UHFFFAOYSA-N
XLogP1.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
CID 115218053
6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
CID 115234864
methyl 6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190786
6-[2-(methylamino)ethyl]-2-oxo-3,4-dihydroquinoline-1-carbohydrazide
CID 115193038
methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate
CID 115142469
1-(1-aminopropan-2-yl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
CID 117039999
methyl 6-(aminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190559
2-[6-(aminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]-2-oxoacetic acid
CID 115141312
1-(2,3-diaminopropyl)-6-(methylaminomethyl)-3,4-dihydroquinolin-2-one
CID 115119844
5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one
CID 115234861
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036
6-(aminomethyl)-1-[2-(ethylamino)acetyl]-3,4-dihydroquinolin-2-one
CID 115157885

Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid?
The IUPAC name of 6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid (CID 115170974) is 6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid.
What is the SMILES notation for 6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid?
The canonical SMILES for 6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid is CNCc1ccc2c(c1)CCC(=O)N2C(=O)O.
What is the InChIKey of 6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid?
The InChIKey is BSPQXKKSSATPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-13-7-8-2-4-10-9(6-8)3-5-11(15)14(10)12(16)17/h2,4,6,13H,3,5,7H2,1H3,(H,16,17).
What are the key properties of 6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid?
6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid is sourced from PubChem (CID 115170974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).