2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid

C17H15N3O5 — CID 68956641

IUPAC2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid
SMILESCOc1cc2nccc(Oc3ccnc(CC(=O)O)n3)c2cc1OC
InChIInChI=1S/C17H15N3O5/c1-23-13-7-10-11(8-14(13)24-2)18-5-3-12(10)25-16-4-6-19-15(20-16)9-17(21)22/h3-8H,9H2,1-2H3,(H,21,22)
InChIKeySVBZAXAYEYMUIJ-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.46
Rot. Bonds6

About 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid

2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid (PubChem CID 68956641) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid
PubChem CID68956641
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid
SMILESCOc1cc2nccc(Oc3ccnc(CC(=O)O)n3)c2cc1OC
InChIInChI=1S/C17H15N3O5/c1-23-13-7-10-11(8-14(13)24-2)18-5-3-12(10)25-16-4-6-19-15(20-16)9-17(21)22/h3-8H,9H2,1-2H3,(H,21,22)
InChIKeySVBZAXAYEYMUIJ-UHFFFAOYSA-N
XLogP2.46
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
methane;4,6,7-trimethoxyquinoline
CID 157066291
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid
CID 71122818
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515
6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid
CID 59813662
1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone
CID 24879272
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid?
The IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid (CID 68956641) is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid is COc1cc2nccc(Oc3ccnc(CC(=O)O)n3)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid?
The InChIKey is SVBZAXAYEYMUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-23-13-7-10-11(8-14(13)24-2)18-5-3-12(10)25-16-4-6-19-15(20-16)9-17(21)22/h3-8H,9H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid?
2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid has a molecular weight of 341.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid is sourced from PubChem (CID 68956641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).