2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid

C18H15NO4 — CID 18456647

IUPAC2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
SMILESCOc1ccc2c(Oc3ccc(CC(=O)O)cc3)ccnc2c1
InChIInChI=1S/C18H15NO4/c1-22-14-6-7-15-16(11-14)19-9-8-17(15)23-13-4-2-12(3-5-13)10-18(20)21/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyHSQHEGAEDKCBHD-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.66
Rot. Bonds5

About 2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid

2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid (PubChem CID 18456647) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
PubChem CID18456647
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
SMILESCOc1ccc2c(Oc3ccc(CC(=O)O)cc3)ccnc2c1
InChIInChI=1S/C18H15NO4/c1-22-14-6-7-15-16(11-14)19-9-8-17(15)23-13-4-2-12(3-5-13)10-18(20)21/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyHSQHEGAEDKCBHD-UHFFFAOYSA-N
XLogP3.66
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid
CID 71122818
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
4,7-dimethoxyquinoline
CID 20743716
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515
1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
CID 168886754
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline
CID 168886816
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
[4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide
CID 157102986
2-(7-methoxyquinazolin-4-yl)acetic acid
CID 105471989
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(3-hydroxyphenyl)pentane-2,4-dione
CID 58249480
(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol
CID 168886703

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid (CID 18456647) is 2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid is COc1ccc2c(Oc3ccc(CC(=O)O)cc3)ccnc2c1.
What is the InChIKey of 2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid?
The InChIKey is HSQHEGAEDKCBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-14-6-7-15-16(11-14)19-9-8-17(15)23-13-4-2-12(3-5-13)10-18(20)21/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid?
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid has a molecular weight of 309.32 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 18456647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).