2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid

C15H18N2O4 — CID 68660527

IUPAC2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid
SMILESCOCOc1ccc(CN(C)CC(=O)O)c2cccnc12
InChIInChI=1S/C15H18N2O4/c1-17(9-14(18)19)8-11-5-6-13(21-10-20-2)15-12(11)4-3-7-16-15/h3-7H,8-10H2,1-2H3,(H,18,19)
InChIKeyJUZBZLUELFAWCV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.73
Rot. Bonds7

About 2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid

2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid (PubChem CID 68660527) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid
PubChem CID68660527
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid
SMILESCOCOc1ccc(CN(C)CC(=O)O)c2cccnc12
InChIInChI=1S/C15H18N2O4/c1-17(9-14(18)19)8-11-5-6-13(21-10-20-2)15-12(11)4-3-7-16-15/h3-7H,8-10H2,1-2H3,(H,18,19)
InChIKeyJUZBZLUELFAWCV-UHFFFAOYSA-N
XLogP1.73
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 91828636
[5-[[ethyl(methyl)amino]methyl]quinolin-8-yl] piperidine-1-carboxylate
CID 91346957
methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate
CID 96709843
[5-[[[8-(dimethylcarbamoyloxy)quinolin-5-yl]methyl-ethynylamino]methyl]quinolin-8-yl] N,N-dimethylcarbamate
CID 46862050
N-ethyl-N-[[8-[[5-[[ethyl-(2-methoxyacetyl)amino]methyl]quinolin-8-yl]disulfanyl]quinolin-5-yl]methyl]-2-methoxyacetamide
CID 90110777
2-[methyl-[[3-(trifluoromethyl)-2-pyridinyl]methyl]amino]acetic acid
CID 167823695
2-(6-amino-3-pyridinyl)-2-[(8-methoxyquinolin-5-yl)methyl-methylamino]acetic acid
CID 72881160
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 70730340
1-[(8-methoxyquinolin-5-yl)methyl]-1-methyl-3-[(2S)-2-methylbutyl]urea
CID 126435880
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-[(8-methoxyquinolin-5-yl)methyl]-1-methylurea;2,2,2-trifluoroacetic acid
CID 154887533
5-[(dimethylamino)methyl]quinolin-8-ol
CID 5118731
5-(methoxymethoxy)quinolin-8-amine
CID 116524711

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid (CID 68660527) is 2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid is COCOc1ccc(CN(C)CC(=O)O)c2cccnc12.
What is the InChIKey of 2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid?
The InChIKey is JUZBZLUELFAWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-17(9-14(18)19)8-11-5-6-13(21-10-20-2)15-12(11)4-3-7-16-15/h3-7H,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid?
2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(methoxymethoxy)quinolin-5-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 68660527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).