2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid

C17H19N3O4 — CID 95924961

IUPAC2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid
SMILESCOCc1cc(OCC(=O)O)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C17H19N3O4/c1-23-10-13-9-15(24-11-16(21)22)19-17(18-13)20-8-4-6-12-5-2-3-7-14(12)20/h2-3,5,7,9H,4,6,8,10-11H2,1H3,(H,21,22)
InChIKeyFERVVGFXGAEXHC-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.17
Rot. Bonds6

About 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid

2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid (PubChem CID 95924961) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid
PubChem CID95924961
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid
SMILESCOCc1cc(OCC(=O)O)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C17H19N3O4/c1-23-10-13-9-15(24-11-16(21)22)19-17(18-13)20-8-4-6-12-5-2-3-7-14(12)20/h2-3,5,7,9H,4,6,8,10-11H2,1H3,(H,21,22)
InChIKeyFERVVGFXGAEXHC-UHFFFAOYSA-N
XLogP2.17
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone
CID 133273186
2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide
CID 109262360
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329190
2-(3,4-dihydro-2H-quinolin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508921
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314281
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266324
1-(4-methoxy-6-methylpyrimidin-2-yl)-2,3-dihydroindole
CID 43817662
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205740
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82161957
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265866
2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 117101372

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid (CID 95924961) is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid is COCc1cc(OCC(=O)O)nc(N2CCCc3ccccc32)n1.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid?
The InChIKey is FERVVGFXGAEXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-10-13-9-15(24-11-16(21)22)19-17(18-13)20-8-4-6-12-5-2-3-7-14(12)20/h2-3,5,7,9H,4,6,8,10-11H2,1H3,(H,21,22).
What are the key properties of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid?
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid has a molecular weight of 329.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid is sourced from PubChem (CID 95924961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).